---
OA_place: publisher
OA_type: gold
_id: '19393'
abstract:
- lang: eng
  text: "Rotations constitute one of the fundamental symmetries in physics, characterized
    by their intricate group structure and infinite dimensional representations. In
    contrast to classical rotations, quantum mechanics unveils the SO(3) symmetry
    group structure, manifesting in phenomena without classical counterparts, from
    angular momentum quantization to non-trivial addition of angular momenta.\r\nWhile
    most studies of topological physics have focused on two-band systems, the SO(3)
    symmetry group of quantum rotors offers an inherently more complex platform with
    unprecedented possibilities for exploring topological phenomena. Despite their
    ubiquity in nature– from molecules to nanorotors– their potential for hosting
    topological phases has remained largely unexamined.\r\nIn this thesis, we mainly
    focus on periodically driven linear molecules as a prototype for studying topological
    phenomena in quantum rotors. Recent technological advances in coherent control
    of molecules, particularly through precisely shaped laser pulses, have made it
    possible to investigate linear rotors in the context of topology. While planar
    rotors have received some attention in recent years, threedimensional rotors–particularly
    linear molecules–harbor substantially richer topological phenomena due to their
    non-abelian nature and their additional angular degrees of freedom. We demonstrate
    that these systems can host novel edge states and topological features fundamentally
    impossible in planar systems.\r\nWe begin by establishing a theoretical bridge
    between periodically kicked rotors and \"crystalline\" lattices in angular momentum
    space. Using non-interacting linear molecules as our primary example, we show
    how quantum interference and revival patterns lead to the possibility to simulate
    band models with arbitrary number of bands N. While our framework applies to various
    quantum rotors, including nanorotors and kicked Bose-Einstein condensates, linear\r\nmolecules
    provide an ideal experimental platform due to their abovementioned precise controllability.\r\nThe
    core of this work examines adiabatic dynamics of 3D quantum rotors, establishing
    a geometric framework based on the Euler class to characterize its non-abelian
    topology. The non-Hermitian nature of the system enables novel braiding behaviors
    and topological transitions impossible in static systems, leading to an anomalous
    Dirac string phase with edge states in each gap, even though the Berry phases
    are all zero. These features can be directly observed through\r\nmolecular alignment
    and rotational level populations.\r\nThese findings establish quantum rotors as
    an alternative platform for studying multi-band topological physics, while suggesting
    practical implementations for quantum computation where topological protection
    could offer natural resilience against decoherence. The rich structure of three-dimensional
    rotation groups, combined with the tunability of topological features through
    driving parameters, makes this platform particularly valuable for exploring fundamental\r\nphysics
    and developing quantum technologies."
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Volker
  full_name: Karle, Volker
  id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425
  last_name: Karle
  orcid: 0000-0002-6963-0129
citation:
  ama: Karle V. Non-equilibrium topological phases with periodically driven molecules
    and quantum rotors. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-19393">10.15479/AT-ISTA-19393</a>
  apa: Karle, V. (2025). <i>Non-equilibrium topological phases with periodically driven
    molecules and quantum rotors</i>. Institute of Science and Technology Austria.
    <a href="https://doi.org/10.15479/AT-ISTA-19393">https://doi.org/10.15479/AT-ISTA-19393</a>
  chicago: Karle, Volker. “Non-Equilibrium Topological Phases with Periodically Driven
    Molecules and Quantum Rotors.” Institute of Science and Technology Austria, 2025.
    <a href="https://doi.org/10.15479/AT-ISTA-19393">https://doi.org/10.15479/AT-ISTA-19393</a>.
  ieee: V. Karle, “Non-equilibrium topological phases with periodically driven molecules
    and quantum rotors,” Institute of Science and Technology Austria, 2025.
  ista: Karle V. 2025. Non-equilibrium topological phases with periodically driven
    molecules and quantum rotors. Institute of Science and Technology Austria.
  mla: Karle, Volker. <i>Non-Equilibrium Topological Phases with Periodically Driven
    Molecules and Quantum Rotors</i>. Institute of Science and Technology Austria,
    2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-19393">10.15479/AT-ISTA-19393</a>.
  short: V. Karle, Non-Equilibrium Topological Phases with Periodically Driven Molecules
    and Quantum Rotors, Institute of Science and Technology Austria, 2025.
corr_author: '1'
date_created: 2025-03-12T13:04:59Z
date_published: 2025-03-13T00:00:00Z
date_updated: 2026-07-29T08:59:30Z
day: '13'
ddc:
- '530'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MiLe
doi: 10.15479/AT-ISTA-19393
file:
- access_level: open_access
  checksum: d3ab25782c7ea38ce9910e57d25f6733
  content_type: application/pdf
  creator: vkarle
  date_created: 2025-03-12T12:56:46Z
  date_updated: 2025-03-12T12:56:46Z
  file_id: '19394'
  file_name: thesis_final.pdf
  file_size: 10625143
  relation: main_file
  success: 1
- access_level: closed
  checksum: 3ccfb0aeba4d860d71e18347913034e4
  content_type: application/zip
  creator: vkarle
  date_created: 2025-03-13T13:15:10Z
  date_updated: 2025-03-20T08:02:35Z
  file_id: '19400'
  file_name: thesis.zip
  file_size: 23119202
  relation: source_file
file_date_updated: 2025-03-20T08:02:35Z
fulldoi: https://doi.org/10.15479/AT-ISTA-19393
has_accepted_license: '1'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
page: '192'
publication_identifier:
  eissn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '14851'
    relation: part_of_dissertation
    status: public
  - id: '12788'
    relation: part_of_dissertation
    status: public
  - id: '9903'
    relation: part_of_dissertation
    status: public
  - id: '15004'
    relation: part_of_dissertation
    status: public
  - id: '19425'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
title: Non-equilibrium topological phases with periodically driven molecules and quantum
  rotors
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: dissertation
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2025'
...
---
OA_place: publisher
_id: '20735'
abstract:
- lang: eng
  text: "Left–right alternation is a defining feature of spinal locomotor circuits,
    yet the level of neuronal\r\ndetail required to generate and maintain this pattern
    remains unclear. This thesis investigates how\r\nmodels spanning multiple levels
    of abstraction—from biophysically detailed Hodgkin–Huxley (HH)\r\nneurons to adaptive
    integrate–and–fire (I&F) formulations and synfire-chain modules—can account\r\nfor
    the generation of fictive swimming in the spinal cord of the Xenopus laevis tadpole.
    The guiding\r\nhypothesis is that a small set of neuronal mechanisms is sufficient
    to reproduce the essential features\r\nof rhythmic alternation, and that moving
    between modeling scales helps distinguish core principles\r\nfrom biological detail.\r\nA
    minimal bilateral HH network comprising only four canonical neuron classes—excitatory\r\ndescending
    interneurons (dINs), inhibitory commissural interneurons (cINs), ipsilateral inhibitory\r\ninterneurons
    (aINs) and motoneurons—served as a biophysical proof of concept. Tuned to reproduce\r\nexperimentally
    observed firing modes, the model demonstrated that rebound-prone dIN excitability,\r\ncontralateral
    inhibition and modest electrical coupling are sufficient to generate stable alternating\r\nactivity,
    even in very small networks. These results motivated the transition to simpler
    models\r\ncapable of efficient analysis and scaling.\r\nAdaptive exponential I&F
    (AdEx) neurons were calibrated to physiological recordings using\r\nsimulation-based
    inference, yielding tonic and phasic/rebound templates that preserved the key\r\ndynamical
    signatures of the HH model. Phase-plane analysis clarified the mechanisms underlying\r\nsingle-spike
    responses and rebound firing in dINs. At network level, the I&F models robustly\r\nreproduced
    left–right alternation, while highlighting constraints on synaptic kinetics and
    adaptation\r\nneeded to avoid multi-spike responses.\r\nFinally, a synfire-chain
    framework provided a complementary, timing-centric perspective, demonstrating
    how precise spike synchrony, synaptic delays and minimal inhibitory coupling can
    generate\r\nalternating left–right sequences in a feedforward setting. Together,
    these approaches converge on a\r\ncommon conclusion: rebound-prone ipsilateral
    excitation combined with precisely timed contralateral inhibition constitutes
    a sufficient substrate for alternating spinal rhythms.\r\nBy integrating bottom-up
    and top-down modeling strategies, this thesis provides a unified, extensible framework
    for studying spinal pattern generation. The results show that essential locomotor\r\ndynamics
    can be captured across multiple abstraction levels, offering both mechanistic
    insight and\r\npractical tools for future data-driven investigations of spinal
    circuit development, robustness and\r\nmodulation."
alternative_title:
- ISTA Master's Thesis
article_processing_charge: No
author:
- first_name: Alexia C
  full_name: Wilson, Alexia C
  id: 5230e794-15b2-11ec-abd3-e2d5335ebd1d
  last_name: Wilson
  orcid: 0000-0001-6191-1367
citation:
  ama: 'Wilson AC. Modelling the spinal cord of a tadpole: Exploring different ways
    to model the spinal cord in the Xenopus frog. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20735">10.15479/AT-ISTA-20735</a>'
  apa: 'Wilson, A. C. (2025). <i>Modelling the spinal cord of a tadpole: Exploring
    different ways to model the spinal cord in the Xenopus frog</i>. Institute of
    Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20735">https://doi.org/10.15479/AT-ISTA-20735</a>'
  chicago: 'Wilson, Alexia C. “Modelling the Spinal Cord of a Tadpole: Exploring Different
    Ways to Model the Spinal Cord in the Xenopus Frog.” Institute of Science and Technology
    Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20735">https://doi.org/10.15479/AT-ISTA-20735</a>.'
  ieee: 'A. C. Wilson, “Modelling the spinal cord of a tadpole: Exploring different
    ways to model the spinal cord in the Xenopus frog,” Institute of Science and Technology
    Austria, 2025.'
  ista: 'Wilson AC. 2025. Modelling the spinal cord of a tadpole: Exploring different
    ways to model the spinal cord in the Xenopus frog. Institute of Science and Technology
    Austria.'
  mla: 'Wilson, Alexia C. <i>Modelling the Spinal Cord of a Tadpole: Exploring Different
    Ways to Model the Spinal Cord in the Xenopus Frog</i>. Institute of Science and
    Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20735">10.15479/AT-ISTA-20735</a>.'
  short: 'A.C. Wilson, Modelling the Spinal Cord of a Tadpole: Exploring Different
    Ways to Model the Spinal Cord in the Xenopus Frog, Institute of Science and Technology
    Austria, 2025.'
corr_author: '1'
date_created: 2025-12-08T09:49:41Z
date_published: 2025-12-09T00:00:00Z
date_updated: 2026-07-29T12:55:12Z
day: '09'
ddc:
- '570'
- '596'
- '005'
degree_awarded: MS
department:
- _id: GradSch
- _id: TiVo
- _id: LoSw
doi: 10.15479/AT-ISTA-20735
doi_confirm: '1'
file:
- access_level: closed
  checksum: 9e3b6b73f8cbec2c3687d17fe8e30410
  content_type: application/zip
  creator: awilson
  date_created: 2026-01-01T17:26:30Z
  date_updated: 2026-01-02T13:05:07Z
  file_id: '20919'
  file_name: tadpoleAdEx.zip
  file_size: 566072368
  relation: source_file
- access_level: open_access
  checksum: 13f4c0d33923e9d5c9d56731345cf21d
  content_type: application/pdf
  creator: awilson
  date_created: 2026-01-04T12:58:49Z
  date_updated: 2026-01-04T12:58:49Z
  file_id: '20923'
  file_name: Masters_Thesis_Alexia_Wilson_FINAL_pdfA.pdf
  file_size: 7170097
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  success: 1
file_date_updated: 2026-01-04T12:58:49Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20735
has_accepted_license: '1'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
page: '110'
publication_identifier:
  issn:
  - 2791-4585
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '13097'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Tim P
  full_name: Vogels, Tim P
  id: CB6FF8D2-008F-11EA-8E08-2637E6697425
  last_name: Vogels
  orcid: 0000-0003-3295-6181
- first_name: Lora Beatrice Jaeger
  full_name: Sweeney, Lora Beatrice Jaeger
  id: 56BE8254-C4F0-11E9-8E45-0B23E6697425
  last_name: Sweeney
  orcid: 0000-0001-9242-5601
title: 'Modelling the spinal cord of a tadpole: Exploring different ways to model
  the spinal cord in the Xenopus frog'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: repository
OA_type: green
_id: '21398'
abstract:
- lang: eng
  text: Seymour's decomposition theorem is a hallmark result in matroid theory presenting
    a structural characterization of the class of regular matroids. Formalization
    of matroid theory faces many challenges, most importantly that only a limited
    number of notions and results have been implemented so far. In this work, we formalize
    the proof of the forward (composition) direction of Seymour's theorem for regular
    matroids. To this end, we develop a library in Lean 4 that implements definitions
    and results about totally unimodular matrices, vector matroids, their standard
    representations, regular matroids, and 1-, 2-, and 3-sums of matrices and binary
    matroids given by their standard representations. Using this framework, we formally
    state Seymour's decomposition theorem and implement a formally verified proof
    of the composition direction in the setting where the matroids have finite rank
    and may have infinite ground sets.
acknowledgement: "We would like to dedicate the paper to the memory of Klaus Truemper,
  whose monograph Matroid Decomposition [12]\r\nlaid the foundation for our entire
  work."
article_number: '2509.20539'
article_processing_charge: No
arxiv: 1
author:
- first_name: Martin
  full_name: Dvorak, Martin
  id: 40ED02A8-C8B4-11E9-A9C0-453BE6697425
  last_name: Dvorak
  orcid: 0000-0001-5293-214X
- first_name: Tristan
  full_name: Figueroa-Reid, Tristan
  last_name: Figueroa-Reid
- first_name: Rida
  full_name: Hamadani, Rida
  last_name: Hamadani
- first_name: Byung-Hak
  full_name: Hwang, Byung-Hak
  last_name: Hwang
- first_name: Evgenia
  full_name: Karunus, Evgenia
  last_name: Karunus
- first_name: Vladimir
  full_name: Kolmogorov, Vladimir
  id: 3D50B0BA-F248-11E8-B48F-1D18A9856A87
  last_name: Kolmogorov
- first_name: Alexander
  full_name: Meiburg, Alexander
  last_name: Meiburg
- first_name: Alexander
  full_name: Nelson, Alexander
  last_name: Nelson
- first_name: Peter
  full_name: Nelson, Peter
  last_name: Nelson
- first_name: Mark
  full_name: Sandey, Mark
  last_name: Sandey
- first_name: Ivan
  full_name: Sergeev, Ivan
  id: ca3c9187-9a72-11ee-a009-8af825d896b0
  last_name: Sergeev
  orcid: 0009-0004-9145-8785
citation:
  ama: Dvorak M, Figueroa-Reid T, Hamadani R, et al. Composition direction of Seymour’s
    theorem for regular matroids — Formally verified. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2509.20539">10.48550/arXiv.2509.20539</a>
  apa: Dvorak, M., Figueroa-Reid, T., Hamadani, R., Hwang, B.-H., Karunus, E., Kolmogorov,
    V., … Sergeev, I. (n.d.). Composition direction of Seymour’s theorem for regular
    matroids — Formally verified. <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2509.20539">https://doi.org/10.48550/arXiv.2509.20539</a>
  chicago: Dvorak, Martin, Tristan Figueroa-Reid, Rida Hamadani, Byung-Hak Hwang,
    Evgenia Karunus, Vladimir Kolmogorov, Alexander Meiburg, et al. “Composition Direction
    of Seymour’s Theorem for Regular Matroids — Formally Verified.” <i>ArXiv</i>,
    n.d. <a href="https://doi.org/10.48550/arXiv.2509.20539">https://doi.org/10.48550/arXiv.2509.20539</a>.
  ieee: M. Dvorak <i>et al.</i>, “Composition direction of Seymour’s theorem for regular
    matroids — Formally verified,” <i>arXiv</i>. .
  ista: Dvorak M, Figueroa-Reid T, Hamadani R, Hwang B-H, Karunus E, Kolmogorov V,
    Meiburg A, Nelson A, Nelson P, Sandey M, Sergeev I. Composition direction of Seymour’s
    theorem for regular matroids — Formally verified. arXiv, 2509.20539.
  mla: Dvorak, Martin, et al. “Composition Direction of Seymour’s Theorem for Regular
    Matroids — Formally Verified.” <i>ArXiv</i>, 2509.20539, doi:<a href="https://doi.org/10.48550/arXiv.2509.20539">10.48550/arXiv.2509.20539</a>.
  short: M. Dvorak, T. Figueroa-Reid, R. Hamadani, B.-H. Hwang, E. Karunus, V. Kolmogorov,
    A. Meiburg, A. Nelson, P. Nelson, M. Sandey, I. Sergeev, ArXiv (n.d.).
corr_author: '1'
das_tickbox: '1'
date_created: 2026-03-04T11:56:29Z
date_published: 2025-09-23T00:00:00Z
date_updated: 2026-07-29T12:56:51Z
day: '23'
department:
- _id: GradSch
- _id: VlKo
doi: 10.48550/arXiv.2509.20539
external_id:
  arxiv:
  - '2509.20539'
fulldoi: https://doi.org/10.48550/arXiv.2509.20539
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2509.20539
month: '09'
oa: 1
oa_version: Preprint
publication: arXiv
publication_status: draft
related_material:
  record:
  - id: '21393'
    relation: dissertation_contains
    status: public
status: public
title: Composition direction of Seymour's theorem for regular matroids — Formally
  verified
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2025'
...
---
OA_place: publisher
_id: '20811'
abstract:
- lang: eng
  text: "\tThis thesis is organized into two parts, each comprising two chapters:
    Chapter 1 and 2 offer models for the evolution of vaccine resistance in response
    to diverse vaccination strategies. Chapter 3 and 4 review the statistics of records,
    their connection to models of innovation and an application to the cultural evolution
    of sports.\r\n\tIn chapter 1 we present a modelling study from 2021 on the evolution
    of SARS-CoV-2. At that time the vaccine-resistant Omicron variant had not yet
    evolved. In our model we consider a population that is becoming vaccinated over
    time, while a pathogen is spreading in the population and eventually becoming
    resistant to the vaccine. We explore effective pharmaceutical and non-pharmaceutical
    interventions to prevent the emergence of vaccine resistance. \r\n\tIn chapter
    2 we model a particular set of complex vaccination strategies, mosaic and pyramid
    vaccination, where an immunologically diverse portfolio of vaccines is considered.
    We find that a bet-hatching strategy, in which vaccine types are distributed in
    the population, is effective at hindering the evolution of vaccine resistance
    if mutation rates are high. \r\n\tIn chapter 3 we switch gears and present a review
    on the statistics of records. We highlight similarities and analogies to other
    models in the fields of statistical physics, evolution and innovation. This offers
    interesting complimentary perspectives on well-known models. \r\n\tIn chapter
    4 we apply models of record statistics and innovation to study cultural evolution
    in sport. We propose a model of sport evolution that combines deterministic improvements
    in performance and stochastic bursts of improvements due to innovation. "
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Simon
  full_name: Rella, Simon
  id: B4765ACA-AA38-11E9-AC9A-0930E6697425
  last_name: Rella
citation:
  ama: 'Rella S. Adaptive processes in biology and culture: Models of evolving vaccine
    resistance and the record statistics of innovation. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20811">10.15479/AT-ISTA-20811</a>'
  apa: 'Rella, S. (2025). <i>Adaptive processes in biology and culture: Models of
    evolving vaccine resistance and the record statistics of innovation</i>. Institute
    of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20811">https://doi.org/10.15479/AT-ISTA-20811</a>'
  chicago: 'Rella, Simon. “Adaptive Processes in Biology and Culture: Models of Evolving
    Vaccine Resistance and the Record Statistics of Innovation.” Institute of Science
    and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20811">https://doi.org/10.15479/AT-ISTA-20811</a>.'
  ieee: 'S. Rella, “Adaptive processes in biology and culture: Models of evolving
    vaccine resistance and the record statistics of innovation,” Institute of Science
    and Technology Austria, 2025.'
  ista: 'Rella S. 2025. Adaptive processes in biology and culture: Models of evolving
    vaccine resistance and the record statistics of innovation. Institute of Science
    and Technology Austria.'
  mla: 'Rella, Simon. <i>Adaptive Processes in Biology and Culture: Models of Evolving
    Vaccine Resistance and the Record Statistics of Innovation</i>. Institute of Science
    and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20811">10.15479/AT-ISTA-20811</a>.'
  short: 'S. Rella, Adaptive Processes in Biology and Culture: Models of Evolving
    Vaccine Resistance and the Record Statistics of Innovation, Institute of Science
    and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-12-12T14:39:56Z
date_published: 2025-12-15T00:00:00Z
date_updated: 2026-07-29T12:57:49Z
day: '15'
ddc:
- '616'
- '576'
- '614'
- '519'
degree_awarded: PhD
department:
- _id: GradSch
- _id: GaTk
- _id: FyKo
doi: 10.15479/AT-ISTA-20811
doi_confirm: '1'
file:
- access_level: open_access
  checksum: a0bd7a585720e60df284101b8afdf6bb
  content_type: application/pdf
  creator: srella
  date_created: 2025-12-16T21:49:52Z
  date_updated: 2025-12-16T21:49:52Z
  file_id: '20831'
  file_name: 2025_Rella_Simon_Thesis.pdf
  file_size: 29019662
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  success: 1
- access_level: open_access
  checksum: b8b3a90932ae1d96d307838710f46e32
  content_type: application/zip
  creator: srella
  date_created: 2025-12-16T21:52:19Z
  date_updated: 2025-12-16T21:52:19Z
  file_id: '20832'
  file_name: 2025_Rella_Simon_Thesis_Sourcefiles.zip
  file_size: 42094025
  relation: source_file
file_date_updated: 2025-12-16T21:52:19Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20811
has_accepted_license: '1'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
page: '95'
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '18307'
    relation: part_of_dissertation
    status: public
  - id: '9905'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Gašper
  full_name: Tkačik, Gašper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkačik
  orcid: 0000-0002-6699-1455
- first_name: Fyodor
  full_name: Kondrashov, Fyodor
  id: 44FDEF62-F248-11E8-B48F-1D18A9856A87
  last_name: Kondrashov
  orcid: 0000-0001-8243-4694
title: 'Adaptive processes in biology and culture: Models of evolving vaccine resistance
  and the record statistics of innovation'
tmp:
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    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
_id: '20276'
abstract:
- lang: eng
  text: "Complex 3D shapes can be created by morphing flat 2D configurations. Such
    deformations\r\neither preserve the intrinsic material geometry (e.g., folding
    paper) or modify it through\r\nlocalized contraction. Once transformed, the 3D
    shape can be further controlled to achieve a\r\ntarget functionality. A key challenge
    is to take the material specifications and the actuation\r\nprocess as input to
    automatically design the target 3D shape and its functionality. This thesis\r\npresents
    two novel computational pipelines for the design and control of shape-morphing\r\nstructures
    used to create functional prototypes.\r\nThe first pipeline borrows from the art
    of origami to fold paper into intricate shapes and\r\napplies this principle to
    make 3D lighting displays. We introduce, PCBend a computational\r\ndesign approach
    that covers a surface with individually addressable RGB LEDs, effectively\r\nforming
    a low-resolution surface by folding rigid printed circuit boards (PCBs). We optimize\r\ncut
    patterns on PCBs to act as hinges and co-design LED placement, circuit routing,
    and\r\nfabrication constraints to produce PCB blueprints. The PCBs are fabricated
    using automated\r\nstandard manufacturing services with LEDs embedded on them.
    Finally, the fabricated PCBs\r\nare cut along the contour and folded onto a 3D-printed
    support. The 3D lighting display is\r\nthen controlled to display complex surface
    light patterns.\r\nCreating 3D shapes through folding is only possible if their
    planar configuration, called ”unfolding” exists without any distortion or overlap.
    Existing methods often permit distortion\r\nor require multiple patches, which
    are unsuitable for fabrication pipelines that rely on folding\r\nnon-stretchable
    materials. We reinforce such fabrication pipelines by providing a geometric\r\nrelaxation
    to the problem, where the input shape is modified to admit overlap-free unfolding.\r\nThe
    second fabrication pipeline extends shape morphing to soft robotics by emulating
    nature’s\r\nblueprint of distributed actuation. Inspired by vertebrates, we build
    musculoskeletal robots\r\nusing modular active actuators, employing Liquid Crystal
    Elastomers (LCEs) as shrinkable\r\nartificial muscles integrated with 3D-printed
    bones. The chemical composition of LCEs is\r\naltered to enable untethered actuation
    through infrared radiation, allowing active control of\r\nindividual muscles and
    their corresponding bones. The combined motion of individual bones\r\ndefines
    the robot’s overall shape and functionality. Our proposed system significantly
    expands\r\nboth the design and control spaces of soft robots, which we harness
    using our computational\r\ndesign tools. We build several physical robots that
    exhibit complex shape morphing and varied\r\nterrain navigation, showcasing the
    versatility of our pipeline.\r\nThis thesis explores applications ranging from
    intricate light patterns displayed on 3D shapes\r\nformed by folding rigid PCBs
    to untethered robots that use contractile muscles to exhibit\r\nshape morphing
    and locomotion. Through these examples, the thesis highlights how computational
    design and distributed actuation, integrated with novel materials, can transform\r\npassive
    structures into functional prototypes."
acknowledgement: "Financial support was provided by the European Research Council
  (ERC) under grant agreement No 715767 - MATERIALIZABLE: Intelligent fabrication-oriented
  Computational Design\r\nand Modeling that I gratefully acknowledge.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Manas
  full_name: Bhargava, Manas
  id: FF8FA64C-AA6A-11E9-99AD-50D4E5697425
  last_name: Bhargava
  orcid: 0009-0007-6138-6890
citation:
  ama: 'Bhargava M. Design and control of deformable structures: From PCB lighting
    displays to elastomer robots. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20276">10.15479/AT-ISTA-20276</a>'
  apa: 'Bhargava, M. (2025). <i>Design and control of deformable structures: From
    PCB lighting displays to elastomer robots</i>. Institute of Science and Technology
    Austria. <a href="https://doi.org/10.15479/AT-ISTA-20276">https://doi.org/10.15479/AT-ISTA-20276</a>'
  chicago: 'Bhargava, Manas. “Design and Control of Deformable Structures: From PCB
    Lighting Displays to Elastomer Robots.” Institute of Science and Technology Austria,
    2025. <a href="https://doi.org/10.15479/AT-ISTA-20276">https://doi.org/10.15479/AT-ISTA-20276</a>.'
  ieee: 'M. Bhargava, “Design and control of deformable structures: From PCB lighting
    displays to elastomer robots,” Institute of Science and Technology Austria, 2025.'
  ista: 'Bhargava M. 2025. Design and control of deformable structures: From PCB lighting
    displays to elastomer robots. Institute of Science and Technology Austria.'
  mla: 'Bhargava, Manas. <i>Design and Control of Deformable Structures: From PCB
    Lighting Displays to Elastomer Robots</i>. Institute of Science and Technology
    Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20276">10.15479/AT-ISTA-20276</a>.'
  short: 'M. Bhargava, Design and Control of Deformable Structures: From PCB Lighting
    Displays to Elastomer Robots, Institute of Science and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-09-02T14:48:39Z
date_published: 2025-09-02T00:00:00Z
date_updated: 2026-07-29T13:03:31Z
day: '02'
ddc:
- '000'
degree_awarded: PhD
department:
- _id: GradSch
- _id: BeBi
doi: 10.15479/AT-ISTA-20276
doi_confirm: '1'
ec_funded: 1
file:
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  date_created: 2025-09-03T10:40:52Z
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file_date_updated: 2025-09-04T09:22:29Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20276
has_accepted_license: '1'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
page: '96'
project:
- _id: 24F9549A-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '715767'
  name: 'MATERIALIZABLE: Intelligent fabrication-oriented Computational Design and
    Modeling'
publication_identifier:
  isbn:
  - 978-3-99078-065-7
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
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    relation: part_of_dissertation
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    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Bernd
  full_name: Bickel, Bernd
  id: 49876194-F248-11E8-B48F-1D18A9856A87
  last_name: Bickel
  orcid: 0000-0001-6511-9385
title: 'Design and control of deformable structures: From PCB lighting displays to
  elastomer robots'
tmp:
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type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
_id: '20203'
abstract:
- lang: eng
  text: Tribocharging, or contact electrification, is the phenomenon in which two
    initially neutral materials exchange electric charge through contact and subsequent
    separation. While it is widely observed in everyday life and crucial to numerous
    natural processes, even the most basic aspects of tribocharging are still a mystery—what
    are the charge carriers involved and what drives their exchange? This work spans
    three separate projects that address different aspects of tribocharging. First,
    we introduce a novel strategy combining Finite Element Method (FEM) simulations
    with Kelvin Probe Force Microscopy (KPFM) to quantitatively extract surface charge
    density from surface voltage maps. Second, we present a simple theoretical model
    that allows for the existence of triboelectric cycles, under the assumption that
    multiple charge carrying species are involved. Third, we present experimental
    evidence that identical materials can spontaneously evolve into a triboelectric
    series, driven by contact history. Modeling this behavior enables the replication
    of experimental results with simulations, and even experimentally forcing the
    appearance of a pre-designed series by manipulating contact history. Together,
    the findings from these projects challenge traditional views on tribocharging,
    provide new tools for probing it, and open up new avenues of research—all with
    the hopes of bringing us closer to understanding this puzzling phenomenon.
acknowledged_ssus:
- _id: M-Shop
- _id: NanoFab
- _id: EM-Fac
- _id: LifeSc
- _id: ScienComp
acknowledgement: "The project in Chapter 2 has received funding from the European
  Research Council (ERC) under\r\nthe European Union’s Horizon 2020 research and innovation
  programme (Grant Agreement\r\nNo. 949120).\r\nThe project in Chapter 3 has received
  funding from the European Research Council (ERC) under\r\nthe European Union’s Horizon
  2020 research and innovation programme (Grant Agreement\r\nNo. 949120).\r\nThe project
  in Chapter 4 has received financing from the European Research Council grant\r\nagreement
  No. 949120 under the European Union’s Horizon 2020 research and innovation\r\nprogramme.
  The Analytical Instrumentation Center of the TU Wien acknowledges support by\r\nthe
  FFG project ‘ELSA’ under grant no. 884672. C.M.P. and M.O. acknowledge the state\r\nof
  Lower Austria and the European Regional Development Fund under grant no. WST3-F542638/004-2021.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Juan Carlos A
  full_name: Sobarzo Ponce, Juan Carlos A
  id: 4B807D68-AE37-11E9-AC72-31CAE5697425
  last_name: Sobarzo Ponce
citation:
  ama: 'Sobarzo Ponce JCA. Tribocharging of identical insulators: Triboelectric series,
    triboelectric cycles and surface charges. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20203">10.15479/AT-ISTA-20203</a>'
  apa: 'Sobarzo Ponce, J. C. A. (2025). <i>Tribocharging of identical insulators:
    Triboelectric series, triboelectric cycles and surface charges</i>. Institute
    of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20203">https://doi.org/10.15479/AT-ISTA-20203</a>'
  chicago: 'Sobarzo Ponce, Juan Carlos A. “Tribocharging of Identical Insulators:
    Triboelectric Series, Triboelectric Cycles and Surface Charges.” Institute of
    Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20203">https://doi.org/10.15479/AT-ISTA-20203</a>.'
  ieee: 'J. C. A. Sobarzo Ponce, “Tribocharging of identical insulators: Triboelectric
    series, triboelectric cycles and surface charges,” Institute of Science and Technology
    Austria, 2025.'
  ista: 'Sobarzo Ponce JCA. 2025. Tribocharging of identical insulators: Triboelectric
    series, triboelectric cycles and surface charges. Institute of Science and Technology
    Austria.'
  mla: 'Sobarzo Ponce, Juan Carlos A. <i>Tribocharging of Identical Insulators: Triboelectric
    Series, Triboelectric Cycles and Surface Charges</i>. Institute of Science and
    Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20203">10.15479/AT-ISTA-20203</a>.'
  short: 'J.C.A. Sobarzo Ponce, Tribocharging of Identical Insulators: Triboelectric
    Series, Triboelectric Cycles and Surface Charges, Institute of Science and Technology
    Austria, 2025.'
corr_author: '1'
date_created: 2025-08-21T11:42:59Z
date_published: 2025-08-27T00:00:00Z
date_updated: 2026-07-29T13:11:25Z
day: '27'
ddc:
- '530'
degree_awarded: PhD
department:
- _id: GradSch
- _id: ScWa
doi: 10.15479/AT-ISTA-20203
doi_confirm: '1'
ec_funded: 1
file:
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  checksum: 661b9d3786cfc985be811befc3262bf5
  content_type: application/pdf
  creator: jsobarzo
  date_created: 2025-08-27T14:50:32Z
  date_updated: 2025-08-27T14:50:32Z
  file_id: '20237'
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  file_size: 12667200
  relation: main_file
  success: 1
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  content_type: application/x-zip-compressed
  creator: jsobarzo
  date_created: 2025-08-27T14:50:32Z
  date_updated: 2025-08-28T08:19:07Z
  file_id: '20238'
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  file_size: 18940521
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file_date_updated: 2025-08-28T08:19:07Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20203
has_accepted_license: '1'
language:
- iso: eng
month: '08'
oa: 1
oa_version: Published Version
page: '96'
project:
- _id: 0aa60e99-070f-11eb-9043-a6de6bdc3afa
  call_identifier: H2020
  grant_number: '949120'
  name: 'Tribocharge: a multi-scale approach to an enduring problem in physics'
publication_identifier:
  isbn:
  - 978-3-99078-062-6
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
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    relation: part_of_dissertation
    status: public
  - id: '15322'
    relation: part_of_dissertation
    status: public
  - id: '19278'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Scott R
  full_name: Waitukaitis, Scott R
  id: 3A1FFC16-F248-11E8-B48F-1D18A9856A87
  last_name: Waitukaitis
  orcid: 0000-0002-2299-3176
title: 'Tribocharging of identical insulators: Triboelectric series, triboelectric
  cycles and surface charges'
tmp:
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type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
_id: '18565'
abstract:
- lang: eng
  text: 'We present a computational approach for unfolding 3D shapes isometrically
    into the plane as a single patch without overlapping triangles. This is a hard,
    sometimes impossible, problem, which existing methods are forced to soften by
    allowing for map distortions or multiple patches. Instead, we propose a geometric
    relaxation of the problem: We modify the input shape until it admits an overlap‐free
    unfolding. We achieve this by locally displacing vertices and collapsing edges,
    guided by the unfolding process. We validate our algorithm quantitatively and
    qualitatively on a large dataset of complex shapes and show its proficiency by
    fabricating real shapes from paper.'
acknowledgement: Researchers from INRIA received support from the DORNELL Inria Challenge.
  Silvia Sellán acknowledges support from NSERC Vanier Doctoral Scholarship and an
  MIT SoE Postdoctoral Fellowship for Engineering Excellence.
article_number: e15269
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Manas
  full_name: Bhargava, Manas
  id: FF8FA64C-AA6A-11E9-99AD-50D4E5697425
  last_name: Bhargava
  orcid: 0009-0007-6138-6890
- first_name: Camille
  full_name: Schreck, Camille
  id: 2B14B676-F248-11E8-B48F-1D18A9856A87
  last_name: Schreck
- first_name: M.
  full_name: Freire, M.
  last_name: Freire
- first_name: P. A.
  full_name: Hugron, P. A.
  last_name: Hugron
- first_name: S.
  full_name: Lefebvre, S.
  last_name: Lefebvre
- first_name: S.
  full_name: Sellán, S.
  last_name: Sellán
- first_name: Bernd
  full_name: Bickel, Bernd
  id: 49876194-F248-11E8-B48F-1D18A9856A87
  last_name: Bickel
  orcid: 0000-0001-6511-9385
citation:
  ama: Bhargava M, Schreck C, Freire M, et al. Mesh simplification for unfolding.
    <i>Computer Graphics Forum</i>. 2025;44(1). doi:<a href="https://doi.org/10.1111/cgf.15269">10.1111/cgf.15269</a>
  apa: Bhargava, M., Schreck, C., Freire, M., Hugron, P. A., Lefebvre, S., Sellán,
    S., &#38; Bickel, B. (2025). Mesh simplification for unfolding. <i>Computer Graphics
    Forum</i>. Wiley. <a href="https://doi.org/10.1111/cgf.15269">https://doi.org/10.1111/cgf.15269</a>
  chicago: Bhargava, Manas, Camille Schreck, M. Freire, P. A. Hugron, S. Lefebvre,
    S. Sellán, and Bernd Bickel. “Mesh Simplification for Unfolding.” <i>Computer
    Graphics Forum</i>. Wiley, 2025. <a href="https://doi.org/10.1111/cgf.15269">https://doi.org/10.1111/cgf.15269</a>.
  ieee: M. Bhargava <i>et al.</i>, “Mesh simplification for unfolding,” <i>Computer
    Graphics Forum</i>, vol. 44, no. 1. Wiley, 2025.
  ista: Bhargava M, Schreck C, Freire M, Hugron PA, Lefebvre S, Sellán S, Bickel B.
    2025. Mesh simplification for unfolding. Computer Graphics Forum. 44(1), e15269.
  mla: Bhargava, Manas, et al. “Mesh Simplification for Unfolding.” <i>Computer Graphics
    Forum</i>, vol. 44, no. 1, e15269, Wiley, 2025, doi:<a href="https://doi.org/10.1111/cgf.15269">10.1111/cgf.15269</a>.
  short: M. Bhargava, C. Schreck, M. Freire, P.A. Hugron, S. Lefebvre, S. Sellán,
    B. Bickel, Computer Graphics Forum 44 (2025).
corr_author: '1'
date_created: 2024-11-19T09:14:32Z
date_published: 2025-02-01T00:00:00Z
date_updated: 2026-07-29T13:03:30Z
day: '01'
ddc:
- '006'
department:
- _id: GradSch
- _id: BeBi
doi: 10.1111/cgf.15269
external_id:
  arxiv:
  - '2408.06944'
  isi:
  - '001357046100001'
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fulldoi: https://doi.org/10.1111/cgf.15269
has_accepted_license: '1'
intvolume: '        44'
isi: 1
issue: '1'
keyword:
- fabrication
- single patch unfolding
- mesh simplification
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
publication: Computer Graphics Forum
publication_identifier:
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  issn:
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publication_status: published
publisher: Wiley
quality_controlled: '1'
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status: public
title: Mesh simplification for unfolding
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  short: CC BY-NC (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 44
year: '2025'
...
---
OA_place: publisher
_id: '20371'
abstract:
- lang: eng
  text: "Quantum mechanics reveals a world that defies classical determinism, where
    uncertainty, superposition, and fluctuations are fundamental aspects. Engineering
    devices that harness these quantum features requires not only precision, but also
    a deep understanding of how they interact with their surrounding environment.
    Superconducting circuits, which exploit\r\nmacroscopic quantum coherence in low-loss
    superconducting materials, provide a scalable platform for implementing such systems.
    Among the critical elements in these circuits, superinductors—high-impedance,
    dissipation-free inductive components—play a central role by suppressing charge
    fluctuations. They allow quantum states to be delocalized in phase space, protect
    qubits from environmental noise, and facilitate access to phenomena such as dual
    Josephson physics and ultra-strong coupling regimes. \r\nThis thesis explores
    two complementary implementations of high-impedance circuits: geometric superinductors,
    demonstrating that high impedance can be achieved beyond kinetic inductance,\r\nand
    Josephson junction chains, used to investigate both microwave mode properties
    and DC transport across the superconductor-to-insulator transition. \r\nPart I
    addresses geometric superinductors. Contrary to the common belief that high-impedance
    superconducting circuits require kinetic inductance, we demonstrate that purely
    geometric designs can achieve characteristic impedance exceeding the resistance
    quantum. By exploiting mutual coupling between adjacent turns, coil-based inductors
    achieve enhanced self-inductance, creating a reliable platform for qubits and
    resonators. Modeling, simulation, fabrication, and\r\ncharacterization confirm
    that these elements behave as superinductor. With low loss, high linearity, and
    minimal stray capacitance, these elements are reproducible, free of uncontrolled
    tunneling events, and capable of strong magnetic coupling. This establishes geometric
    superinductors as robust, single-wave-function superconducting devices suitable
    for hardware protected qubits and hybrid systems.\r\nPart II presents classical
    numerical simulations of a Quantum Phase Slip circuit to study dual Shapiro steps.
    The circuit consists of an ideal Quantum Phase Slip element embedded in a resistive-inductive
    environment with a parasitic capacitance.\r\nPart III extends the investigation
    of high characteristic-impedance circuit elements to one-dimensional Josephson
    junction chains, which act as a quantum simulator for many-body physics and the
    superconductor–insulator transition. Different devices are realized on both sides
    of the DC phase transition, showing either a supercurrent branch or Coulomb blockade
    at zero bias. The effect of the crossover on microwave modes, however, remains
    insufficiently investigated. Studying these modes provides insight into the interplay
    between disorder and phase-slip events. Small differences in circuit component
    sizes determine which side of the transition a device falls on, making these results
    relevant not only for fundamental understanding but also for the design of quantum
    devices, emphasizing the crucial role of the\r\nelectromagnetic environment in
    stabilizing and controlling fragile quantum states. \r\nTogether, these results
    illustrate how carefully engineered high characteristic-impedance elements provide
    a link between macroscopic circuits and the inherently uncertain quantum world,
    enabling experiments that probe, control, and ultimately exploit quantum fluctuations
    for applications in quantum information, metrology, solid state physics and beyond.\r\n\r\n"
acknowledged_ssus:
- _id: NanoFab
- _id: M-Shop
acknowledgement: "I also gratefully acknowledge the generous support of the NOMIS
  Foundation Project \"Protected\r\nStates of Quantum Matter\" and the grant from
  the Beyond-C consortium. Their funding\r\nmade this research possible and gave me
  the freedom to ask ambitious questions, and try to\r\nanswer them.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Andrea
  full_name: Trioni, Andrea
  id: 42F71B44-F248-11E8-B48F-1D18A9856A87
  last_name: Trioni
citation:
  ama: 'Trioni A. High-impedance quantum circuits for mesoscopic physics: Geometric
    superinductors and insulating Josephson Chains. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20371">10.15479/AT-ISTA-20371</a>'
  apa: 'Trioni, A. (2025). <i>High-impedance quantum circuits for mesoscopic physics:
    Geometric superinductors and insulating Josephson Chains</i>. Institute of Science
    and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20371">https://doi.org/10.15479/AT-ISTA-20371</a>'
  chicago: 'Trioni, Andrea. “High-Impedance Quantum Circuits for Mesoscopic Physics:
    Geometric Superinductors and Insulating Josephson Chains.” Institute of Science
    and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20371">https://doi.org/10.15479/AT-ISTA-20371</a>.'
  ieee: 'A. Trioni, “High-impedance quantum circuits for mesoscopic physics: Geometric
    superinductors and insulating Josephson Chains,” Institute of Science and Technology
    Austria, 2025.'
  ista: 'Trioni A. 2025. High-impedance quantum circuits for mesoscopic physics: Geometric
    superinductors and insulating Josephson Chains. Institute of Science and Technology
    Austria.'
  mla: 'Trioni, Andrea. <i>High-Impedance Quantum Circuits for Mesoscopic Physics:
    Geometric Superinductors and Insulating Josephson Chains</i>. Institute of Science
    and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20371">10.15479/AT-ISTA-20371</a>.'
  short: 'A. Trioni, High-Impedance Quantum Circuits for Mesoscopic Physics: Geometric
    Superinductors and Insulating Josephson Chains, Institute of Science and Technology
    Austria, 2025.'
corr_author: '1'
date_created: 2025-09-23T09:57:57Z
date_published: 2025-09-23T00:00:00Z
date_updated: 2026-07-29T13:12:10Z
day: '23'
ddc:
- '539'
degree_awarded: PhD
department:
- _id: GradSch
- _id: JoFi
doi: 10.15479/AT-ISTA-20371
doi_confirm: '1'
ec_funded: 1
file:
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  date_created: 2025-09-25T07:15:05Z
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fulldoi: https://doi.org/10.15479/AT-ISTA-20371
has_accepted_license: '1'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
page: '202'
project:
- _id: eb9b30ac-77a9-11ec-83b8-871f581d53d2
  name: Protected states of quantum matter
- _id: bdb108fd-d553-11ed-ba76-83dc74a9864f
  grant_number: F07105
  name: QUANTUM INFORMATION SYSTEMS BEYOND CLASSICAL CAPABILITIES / P5- Integration
    of Superconducting Quantum Circuits
- _id: 2564DBCA-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '665385'
  name: International IST Doctoral Program
publication_identifier:
  isbn:
  - 978-3-99078-067-1
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '8755'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Johannes M
  full_name: Fink, Johannes M
  id: 4B591CBA-F248-11E8-B48F-1D18A9856A87
  last_name: Fink
  orcid: 0000-0001-8112-028X
title: 'High-impedance quantum circuits for mesoscopic physics: Geometric superinductors
  and insulating Josephson Chains'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
_id: '20339'
abstract:
- lang: eng
  text: "This thesis investigates the interplay between algebraic and topological
    methods and combinatorial problems, focusing on approximate graph colourings and
    mass partitioning. The unifying theme throughout the dissertation is the use of
    continuous maps and symmetry constraints to extract combinatorial insights.\r\n\r\nWe
    first explore approximate graph colouring problems and more generally promise
    constraint satisfaction problems. Using tools from equivariant topology in combination
    with the general theory of polymorphism of a promise constraint satisfaction problem,
    we establish hardness for specific types of approximations.\r\n\r\nIn the second
    part, we address mass partitioning problems, where one seeks to divide geometric
    objects or measures in Euclidean space into parts of equal size using hyperplanes.
    Employing techniques from topological combinatorics (configuration space/test
    map setup and Borsuk–Ulam type theorems), we both obtain a new equipartitioning
    result in the and provide a fast algorithm for computing equipartitioning of point
    sets in 3D.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Gianluca
  full_name: Tasinato, Gianluca
  id: 0433290C-AF8F-11E9-A4C7-F729E6697425
  last_name: Tasinato
citation:
  ama: 'Tasinato G. Topological methods in discrete geometry and theoretical computer
    science: Measure partitioning and constraint satisfaction problems. 2025. doi:<a
    href="https://doi.org/10.15479/AT-ISTA-20339">10.15479/AT-ISTA-20339</a>'
  apa: 'Tasinato, G. (2025). <i>Topological methods in discrete geometry and theoretical
    computer science: Measure partitioning and constraint satisfaction problems</i>.
    Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20339">https://doi.org/10.15479/AT-ISTA-20339</a>'
  chicago: 'Tasinato, Gianluca. “Topological Methods in Discrete Geometry and Theoretical
    Computer Science: Measure Partitioning and Constraint Satisfaction Problems.”
    Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20339">https://doi.org/10.15479/AT-ISTA-20339</a>.'
  ieee: 'G. Tasinato, “Topological methods in discrete geometry and theoretical computer
    science: Measure partitioning and constraint satisfaction problems,” Institute
    of Science and Technology Austria, 2025.'
  ista: 'Tasinato G. 2025. Topological methods in discrete geometry and theoretical
    computer science: Measure partitioning and constraint satisfaction problems. Institute
    of Science and Technology Austria.'
  mla: 'Tasinato, Gianluca. <i>Topological Methods in Discrete Geometry and Theoretical
    Computer Science: Measure Partitioning and Constraint Satisfaction Problems</i>.
    Institute of Science and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20339">10.15479/AT-ISTA-20339</a>.'
  short: 'G. Tasinato, Topological Methods in Discrete Geometry and Theoretical Computer
    Science: Measure Partitioning and Constraint Satisfaction Problems, Institute
    of Science and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-09-10T12:17:55Z
date_published: 2025-09-10T00:00:00Z
date_updated: 2026-07-29T13:13:18Z
day: '10'
ddc:
- '516'
degree_awarded: PhD
department:
- _id: GradSch
- _id: UlWa
doi: 10.15479/AT-ISTA-20339
doi_confirm: '1'
file:
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  content_type: application/x-zip-compressed
  creator: gtasinat
  date_created: 2025-09-11T12:24:12Z
  date_updated: 2025-09-11T12:24:12Z
  file_id: '20344'
  file_name: thesis-source.zip
  file_size: 2218562
  relation: source_file
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  checksum: 04b2e016409e52167ce42b0eef839fbf
  content_type: application/pdf
  creator: gtasinat
  date_created: 2025-09-11T12:26:14Z
  date_updated: 2025-09-11T12:26:14Z
  file_id: '20345'
  file_name: 2025_Tasinato_Gianluca_Thesis.pdf
  file_size: 10071982
  relation: main_file
  success: 1
file_date_updated: 2025-09-11T12:26:14Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20339
has_accepted_license: '1'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
page: '106'
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '20008'
    relation: part_of_dissertation
    status: public
  - id: '15168'
    relation: part_of_dissertation
    status: public
  - id: '19860'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Uli
  full_name: Wagner, Uli
  id: 36690CA2-F248-11E8-B48F-1D18A9856A87
  last_name: Wagner
  orcid: 0000-0002-1494-0568
title: 'Topological methods in discrete geometry and theoretical computer science:
  Measure partitioning and constraint satisfaction problems'
tmp:
  image: /images/cc_by_nc_sa.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC
    BY-NC-SA 4.0)
  short: CC BY-NC-SA (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
_id: '19540'
abstract:
- lang: eng
  text: "This thesis deals with several different models for complex quantum mechanical
    systems and is structured in three main parts. \r\n\t\r\nIn Part I, we study mean
    field random matrices as models for quantum Hamiltonians. Our focus lies on proving
    concentration estimates for resolvents of random matrices, so-called local laws,
    mostly in the setting of multiple resolvents. These estimates have profound consequences
    for eigenvector overlaps and thermalization problems. More concretely, we obtain,
    e.g., the optimal eigenstate thermalization hypothesis (ETH) uniformly in the
    spectrum for Wigner matrices, an optimal lower bound on non-Hermitian eigenvector
    overlaps, and prethermalization for deformed Wigner matrices.\tIn order to prove
    our novel multi-resolvent local laws, we develop and devise two main methods,
    the static Psi-method and the dynamical Zigzag strategy. \r\n\t\r\nIn Part II,
    we study Bardeen-Cooper-Schrieffer (BCS) theory, the standard mean field microscopic
    theory of superconductivity. We focus on asymptotic formulas for the characteristic
    critical temperature and energy gap of a superconductor and prove universality
    of their ratio in various physical regimes. Additionally, we investigate multi-band
    superconductors and show that inter-band coupling effects can only enhance the
    critical temperature. \r\n\t\r\nIn Part III, we study quantum lattice systems.
    On the one hand, we show a strong version of the local-perturbations-perturb-locally
    (LPPL) principle for the ground state of weakly interacting quantum spin systems
    with a uniform on-site gap. On the other hand, we introduce a notion of a local
    gap and rigorously justify response theory and the Kubo formula under the weakened
    assumption of a local gap. \r\n\t\r\nAdditionally, we discuss two classes of problems
    which do not fit into the three main parts of the thesis. These are deformational
    rigidity of Liouville metrics on the torus and relativistic toy models of particle
    creation via interior-boundary-conditions (IBCs).  "
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Sven Joscha
  full_name: Henheik, Sven Joscha
  id: 31d731d7-d235-11ea-ad11-b50331c8d7fb
  last_name: Henheik
  orcid: 0000-0003-1106-327X
citation:
  ama: 'Henheik SJ. Modeling complex quantum systems: Random matrices, BCS theory,
    and quantum lattice systems. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-19540">10.15479/AT-ISTA-19540</a>'
  apa: 'Henheik, S. J. (2025). <i>Modeling complex quantum systems: Random matrices,
    BCS theory, and quantum lattice systems</i>. Institute of Science and Technology
    Austria. <a href="https://doi.org/10.15479/AT-ISTA-19540">https://doi.org/10.15479/AT-ISTA-19540</a>'
  chicago: 'Henheik, Sven Joscha. “Modeling Complex Quantum Systems: Random Matrices,
    BCS Theory, and Quantum Lattice Systems.” Institute of Science and Technology
    Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-19540">https://doi.org/10.15479/AT-ISTA-19540</a>.'
  ieee: 'S. J. Henheik, “Modeling complex quantum systems: Random matrices, BCS theory,
    and quantum lattice systems,” Institute of Science and Technology Austria, 2025.'
  ista: 'Henheik SJ. 2025. Modeling complex quantum systems: Random matrices, BCS
    theory, and quantum lattice systems. Institute of Science and Technology Austria.'
  mla: 'Henheik, Sven Joscha. <i>Modeling Complex Quantum Systems: Random Matrices,
    BCS Theory, and Quantum Lattice Systems</i>. Institute of Science and Technology
    Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-19540">10.15479/AT-ISTA-19540</a>.'
  short: 'S.J. Henheik, Modeling Complex Quantum Systems: Random Matrices, BCS Theory,
    and Quantum Lattice Systems, Institute of Science and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-04-10T21:21:18Z
date_published: 2025-04-10T00:00:00Z
date_updated: 2026-07-29T13:18:17Z
day: '10'
ddc:
- '519'
degree_awarded: PhD
department:
- _id: GradSch
- _id: LaEr
doi: 10.15479/AT-ISTA-19540
doi_confirm: '1'
ec_funded: 1
file:
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  content_type: application/zip
  creator: shenheik
  date_created: 2025-04-10T21:14:18Z
  date_updated: 2025-04-10T21:14:18Z
  file_id: '19542'
  file_name: Henheik-Thesis_source_final.zip
  file_size: 4107587
  relation: source_file
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  checksum: e9fc0ea12ec46c9f71110c33217c4140
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  creator: shenheik
  date_created: 2025-04-11T13:16:05Z
  date_updated: 2025-04-11T13:16:05Z
  file_id: '19553'
  file_name: Henheik-Thesis-pdfa_FINAL.pdf
  file_size: 9999492
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  success: 1
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  checksum: f94580f86c785e7108eb116cd189e225
  content_type: application/pdf
  creator: cchlebak
  date_created: 2025-04-23T14:10:27Z
  date_updated: 2025-04-23T14:10:27Z
  file_id: '19615'
  file_name: Henheik-Thesis-Volume1_print.pdf
  file_size: 13276442
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- access_level: closed
  checksum: b927ead3c78020ffb32918911deedb74
  content_type: application/pdf
  creator: cchlebak
  date_created: 2025-04-23T14:11:05Z
  date_updated: 2025-04-23T14:11:05Z
  file_id: '19616'
  file_name: Henheik-Thesis-Volume2_print.pdf
  file_size: 7628767
  relation: other
file_date_updated: 2025-04-23T14:11:05Z
fulldoi: https://doi.org/10.15479/AT-ISTA-19540
has_accepted_license: '1'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
page: '720'
project:
- _id: 62796744-2b32-11ec-9570-940b20777f1d
  call_identifier: H2020
  grant_number: '101020331'
  name: Random matrices beyond Wigner-Dyson-Mehta
publication_identifier:
  isbn:
  - 978-3-99078-057-2
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '14343'
    relation: part_of_dissertation
    status: public
  - id: '13317'
    relation: part_of_dissertation
    status: public
  - id: '11732'
    relation: part_of_dissertation
    status: public
  - id: '12184'
    relation: part_of_dissertation
    status: public
  - id: '14421'
    relation: part_of_dissertation
    status: public
  - id: '10623'
    relation: part_of_dissertation
    status: public
  - id: '18112'
    relation: part_of_dissertation
    status: public
  - id: '19001'
    relation: part_of_dissertation
    status: public
  - id: '10642'
    relation: part_of_dissertation
    status: public
  - id: '19545'
    relation: part_of_dissertation
    status: public
  - id: '19546'
    relation: part_of_dissertation
    status: public
  - id: '19550'
    relation: part_of_dissertation
    status: public
  - id: '19551'
    relation: part_of_dissertation
    status: public
  - id: '19552'
    relation: part_of_dissertation
    status: public
  - id: '14542'
    relation: part_of_dissertation
    status: public
  - id: '17049'
    relation: part_of_dissertation
    status: public
  - id: '18764'
    relation: part_of_dissertation
    status: public
  - id: '19547'
    relation: part_of_dissertation
    status: public
  - id: '19548'
    relation: part_of_dissertation
    status: public
  - id: '18656'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: László
  full_name: Erdös, László
  id: 4DBD5372-F248-11E8-B48F-1D18A9856A87
  last_name: Erdös
  orcid: 0000-0001-5366-9603
title: 'Modeling complex quantum systems: Random matrices, BCS theory, and quantum
  lattice systems'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
_id: '20641'
abstract:
- lang: eng
  text: 'Protein conformational energy landscapes are shaped not only by intramolecular
    interactions but also by their environment. In protein crystals and protein-protein
    complexes, intermolecular contacts alter this energy landscape, but the exact
    nature of this alteration is difficult to decipher. Understanding how the crystal
    lattice affects protein dynamics is crucial for crystallography-based studies
    of motion, yet its influence on collective motions remains unclear. Aromatic ring
    flips in the hydrophobic core represent sensitive probes of such dynamics. Here,
    we compare the kinetics of aromatic ring flips in the protein GB1 in crystals,
    in complex with its binding partner IgG, and in solution, combining advanced isotope
    labeling with quantitative NMR methods. We show that rings in the core flip nearly
    a thousand times less frequently in crystals than in solution. Enhanced-sampling
    molecular dynamics simulations, based on a new crystal structure, reproduce these
    elevated barriers and reveal how the crystal restrains motions. '
acknowledged_ssus:
- _id: NMR
- _id: LifeSc
acknowledgement: "We thank Nikolai R. Skrynnikov and Olga O. Lebedenko (St. Petersburg)
  for insightful discussions and for performing exploratory MD simulations. We are
  grateful to Tobias Schubeis (Lyon) for advice with GB1 crystallization, and Rebecca
  Schmid for initial crystallization trials.\r\nWe thank Sebastian Falkner for assistance
  with constructing the structural model of the IgG:GB1 complex.\r\nThis research
  was supported by the Scientific Service Units (SSU) of Institute of Science and
  Technology Austria (ISTA) through resources provided by the Nuclear Magnetic Resonance
  and the Lab Support Facilities. We thank Petra Rovó and Margarita Valhondo Falcón
  for excellent support of the NMR facility.\r\nLea M. Becker is recipient of a DOC
  fellowship of the Austrian Academy of Sciences at the Institute of Science and Technology
  Austria (grant no. PR10660EAW01). Christophe Chipot acknowledges the European Research
  Council (grant project 101097272 ``MilliInMicro'') and the Métropole du Grand Nancy
  (grant project ``ARC''). BM07-FIP2 is supported by the French ANR PIA3 (France 2030)
  EquipEx+ project MAGNIFIX under grant agreement ANR-21-ESRE-0011."
article_processing_charge: No
author:
- first_name: Lea Marie
  full_name: Becker, Lea Marie
  id: 36336939-eb97-11eb-a6c2-c83f1214ca79
  last_name: Becker
  orcid: 0000-0002-6401-5151
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
citation:
  ama: Becker LM, Schanda P. Data for “Aromatic Ring Flips Reveal Reshaping of Protein
    Dynamics in Crystals and Complexes.” 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20641">10.15479/AT-ISTA-20641</a>
  apa: Becker, L. M., &#38; Schanda, P. (2025). Data for “Aromatic Ring Flips Reveal
    Reshaping of Protein Dynamics in Crystals and Complexes.” Institute of Science
    and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20641">https://doi.org/10.15479/AT-ISTA-20641</a>
  chicago: Becker, Lea Marie, and Paul Schanda. “Data for ‘Aromatic Ring Flips Reveal
    Reshaping of Protein Dynamics in Crystals and Complexes.’” Institute of Science
    and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20641">https://doi.org/10.15479/AT-ISTA-20641</a>.
  ieee: L. M. Becker and P. Schanda, “Data for ‘Aromatic Ring Flips Reveal Reshaping
    of Protein Dynamics in Crystals and Complexes.’” Institute of Science and Technology
    Austria, 2025.
  ista: Becker LM, Schanda P. 2025. Data for ‘Aromatic Ring Flips Reveal Reshaping
    of Protein Dynamics in Crystals and Complexes’, Institute of Science and Technology
    Austria, <a href="https://doi.org/10.15479/AT-ISTA-20641">10.15479/AT-ISTA-20641</a>.
  mla: Becker, Lea Marie, and Paul Schanda. <i>Data for “Aromatic Ring Flips Reveal
    Reshaping of Protein Dynamics in Crystals and Complexes.”</i> Institute of Science
    and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20641">10.15479/AT-ISTA-20641</a>.
  short: L.M. Becker, P. Schanda, (2025).
contributor:
- contributor_type: researcher
  first_name: 'Haohao '
  last_name: Fu
- contributor_type: researcher
  first_name: Benjamin
  id: 71cda2f3-e604-11ee-a1df-da10587eda3f
  last_name: Tatman
- contributor_type: researcher
  first_name: Matthias
  last_name: Dreydoppel
- contributor_type: researcher
  first_name: Anna
  id: 9fb2a840-89e1-11ee-a8b7-cc5c7ba62471
  last_name: Kapitonova
- contributor_type: researcher
  first_name: Daniel
  id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E
  last_name: Balazs
  orcid: 0000-0001-7597-043X
- contributor_type: researcher
  first_name: Ulrich
  last_name: Weininger
- contributor_type: researcher
  first_name: Sylvain
  last_name: Engilberge
- contributor_type: researcher
  first_name: Christophe
  last_name: Chipot
corr_author: '1'
date_created: 2025-11-13T09:29:58Z
date_published: 2025-11-18T00:00:00Z
date_updated: 2026-08-04T09:32:44Z
day: '18'
ddc:
- '572'
department:
- _id: GradSch
- _id: PaSc
doi: 10.15479/AT-ISTA-20641
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fulldoi: https://doi.org/10.15479/AT-ISTA-20641
has_accepted_license: '1'
month: '11'
oa: 1
oa_version: Published Version
project:
- _id: 7be609c4-9f16-11ee-852c-85015ce2b9b0
  grant_number: '26777'
  name: Exploring protein dynamics by solid-state MAS NMR through specific labeling
    approaches
publisher: Institute of Science and Technology Austria
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title: Data for "Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals
  and Complexes"
tmp:
  image: /images/cc_by_nc.png
  legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
  short: CC BY-NC (4.0)
type: research_data
user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d
year: '2025'
...
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abstract:
- lang: eng
  text: Most current machine learning interatomic potentials (MLIPs) rely on short-range
    approximations, without explicit treatment of long-range electrostatics. To address
    this, we recently developed the Latent Ewald Summation (LES) method, which infers
    electrostatic interactions, polarization, and Born effective charges (BECs), just
    by learning from energy and force training data. Here, we present LES as a standalone
    library, compatible with any short-range MLIP, and demonstrate its integration
    with methods such as MACE, NequIP, Allegro, CACE, CHGNet, and UMA. We benchmark
    LES-enhanced models on distinct systems, including bulk water, polar dipeptides,
    and gold dimer adsorption on defective substrates, and show that LES not only
    captures correct electrostatics but also improves accuracy. Additionally, we scale
    LES to large and chemically diverse data by training MACELES-OFF on the SPICE
    set containing molecules and clusters, making a universal MLIP with electrostatics
    for organic systems, including biomolecules. MACELES-OFF is more accurate than
    its short-range counterpart (MACE-OFF) trained on the same data set, predicts
    dipoles and BECs reliably, and has better descriptions of bulk liquids. By enabling
    efficient long-range electrostatics without directly training on electrical properties,
    LES paves the way for electrostatic foundation MLIPs.
acknowledgement: Research reported in this publication was supported by the National
  Institute Of General Medical Sciences of the National Institutes of Health under
  Award Number R35GM159986. The content is solely the responsibility of the authors
  and does not necessarily represent the official views of the National Institutes
  of Health. D.K. and B.C. acknowledge funding from Toyota Research Institute Synthesis
  Advanced Research Challenge. T.J.I., D.S.K. and P.Z. acknowledge funding from BIDMaP
  Postdoctoral Fellowship. T.J.I. used resources of the National Energy Research Scientific
  Computing Center (NERSC), a Department of Energy Office of Science User Facility
  using NERSC award DOEERCAP0031751 ′GenAI@NERSC’. The authors thank Bowen Deng for
  valuable discussions on MatGL implementation, and thank Gabor Csanyi for stimulating
  discussions.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Dongjin
  full_name: Kim, Dongjin
  last_name: Kim
- first_name: Xiaoyu
  full_name: Wang, Xiaoyu
  id: 8dff9c62-32b0-11ee-9fa8-fc73025e10f3
  last_name: Wang
- first_name: Santiago
  full_name: Vargas, Santiago
  last_name: Vargas
- first_name: Peichen
  full_name: Zhong, Peichen
  last_name: Zhong
- first_name: Daniel S.
  full_name: King, Daniel S.
  last_name: King
- first_name: Theo Jaffrelot
  full_name: Inizan, Theo Jaffrelot
  last_name: Inizan
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Kim D, Wang X, Vargas S, et al. A universal augmentation framework for long-range
    electrostatics in machine learning interatomic potentials. <i>Journal of Chemical
    Theory and Computation</i>. 2025;21(24):12709-12724. doi:<a href="https://doi.org/10.1021/acs.jctc.5c01400">10.1021/acs.jctc.5c01400</a>
  apa: Kim, D., Wang, X., Vargas, S., Zhong, P., King, D. S., Inizan, T. J., &#38;
    Cheng, B. (2025). A universal augmentation framework for long-range electrostatics
    in machine learning interatomic potentials. <i>Journal of Chemical Theory and
    Computation</i>. American Chemical Society. <a href="https://doi.org/10.1021/acs.jctc.5c01400">https://doi.org/10.1021/acs.jctc.5c01400</a>
  chicago: Kim, Dongjin, Xiaoyu Wang, Santiago Vargas, Peichen Zhong, Daniel S. King,
    Theo Jaffrelot Inizan, and Bingqing Cheng. “A Universal Augmentation Framework
    for Long-Range Electrostatics in Machine Learning Interatomic Potentials.” <i>Journal
    of Chemical Theory and Computation</i>. American Chemical Society, 2025. <a href="https://doi.org/10.1021/acs.jctc.5c01400">https://doi.org/10.1021/acs.jctc.5c01400</a>.
  ieee: D. Kim <i>et al.</i>, “A universal augmentation framework for long-range electrostatics
    in machine learning interatomic potentials,” <i>Journal of Chemical Theory and
    Computation</i>, vol. 21, no. 24. American Chemical Society, pp. 12709–12724,
    2025.
  ista: Kim D, Wang X, Vargas S, Zhong P, King DS, Inizan TJ, Cheng B. 2025. A universal
    augmentation framework for long-range electrostatics in machine learning interatomic
    potentials. Journal of Chemical Theory and Computation. 21(24), 12709–12724.
  mla: Kim, Dongjin, et al. “A Universal Augmentation Framework for Long-Range Electrostatics
    in Machine Learning Interatomic Potentials.” <i>Journal of Chemical Theory and
    Computation</i>, vol. 21, no. 24, American Chemical Society, 2025, pp. 12709–24,
    doi:<a href="https://doi.org/10.1021/acs.jctc.5c01400">10.1021/acs.jctc.5c01400</a>.
  short: D. Kim, X. Wang, S. Vargas, P. Zhong, D.S. King, T.J. Inizan, B. Cheng, Journal
    of Chemical Theory and Computation 21 (2025) 12709–12724.
corr_author: '1'
das_tickbox: '1'
dataavailabilitystatement: The training sets, training scripts, and trained potentials
  are available at https://github.com/ChengUCB/les_fit. The LES library is publicly
  available at https://github.com/ChengUCB/les. The CACE package with the LES implementation
  is available at https://github.com/BingqingCheng/cace. The MACE package with the
  LES implementation is available at https://github.com/ACEsuit/mace. The NequIP and
  Allegro LES extension package is available at https://github.com/ChengUCB/NequIP-LES.
  The MatGL package with the LES implementation is available at https://github.com/ChengUCB/matgl.
  The UMA package with the LES implementation is available at https://github.com/santi921/fairchem/tree/les_branch.
date_created: 2026-01-04T23:01:33Z
date_published: 2025-12-10T00:00:00Z
date_updated: 2026-08-07T09:35:25Z
day: '10'
department:
- _id: GradSch
- _id: BiCh
doi: 10.1021/acs.jctc.5c01400
external_id:
  arxiv:
  - '2507.14302'
  pmid:
  - '41368735 '
fulldoi: https://doi.org/10.1021/acs.jctc.5c01400
intvolume: '        21'
issue: '24'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2507.14302
month: '12'
oa: 1
oa_version: Preprint
page: 12709-12724
pmid: 1
publication: Journal of Chemical Theory and Computation
publication_identifier:
  eissn:
  - 1549-9626
  issn:
  - 1549-9618
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
researchdata_availability: no
scopus_import: '1'
status: public
supplementarymaterial: no
title: A universal augmentation framework for long-range electrostatics in machine
  learning interatomic potentials
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 21
year: '2025'
...
---
OA_place: publisher
_id: '20074'
abstract:
- lang: eng
  text: "Prenatal immune challenges pose significant risks to human embryonic brain
    and eye development. However, we still lack knowledge about the safe usage of
    anti-inflammatory drugs during pregnancy. Human induced pluripotent stem cell
    (hIPSC)-derived brain organoid models provide a unique opportunity to investigate
    neuronal development and have started to explore functional consequences upon
    viral infection. However, brain organoids usually lack microglia, the brain-resident
    immune cells. They are present in the early human embryonic brain and actively
    participate in neuronal circuit development. At the same time, microglia are known
    for their immune-sensing properties and will influence viral-mediated effects.
    In my thesis, I was interested to study the multifunctional role of human microglia
    during retinal development. \r\nIn chapter 1, I characterize the innate occurrence
    of IBA1+-microglia-like cells within the retinal organoid differentiation (Bartalska
    et al., 2022). Therefore, we differentiate hIPSC using an unguided retinal organoid
    differentiation protocol and observe the presence of IBA1+-microglia-like cells
    alongside retinal cups between week 3 and 4 in 2.5D culture. However, instead
    of infiltrating the neuroectodermal sides, they enrich within non-pigmented, 3D-cystic
    compartments that develop in low numbers parallel to 3D-retinal organoids. To
    enrich for IBA1+-microglia precursors (preMG), we guided the differentiation with
    a low-dosed BMP4 application, which prevents retinal cup development and enhances
    microglia and 3D-cysts formation. We characterize the differentiated preMG for
    their microglia-like identity and validated their functionality. In parallel,
    mass spectrometry identifies the 3D-cysts to express mesenchymal and epithelial
    markers. We confirm that comparable 3D-cysts are also the preferential environment
    for IBA1+-microglia-like cells within the unguided retinal organoid differentiation.
    \r\nIn chapter 2, I investigate how microglia influence retinal development and
    whether they contribute to viral-mediated consequences (Schmied et al., 2025).
    Here, we assemble preMG, which we have characterized in chapter 1, into 3D-retinal
    organoids. Once the outer plexiform layer forms, microglia-like cells (iMG) populate
    them and interact with retinal cell types. However, at this developmental stage,
    the ganglion cell number decreases in 3D-retinal organoids. Thus, we adapted the
    model into 2D which promotes their survival. Integrated iMG engulf ganglion cells
    and control their cell number. In parallel, we apply the immunostimulant POLY(I:C)
    to mimic a fetal viral infection. Although POLY(I:C) stimulation affects iMG phenotype,
    it does not influence their interaction with ganglion cells. Furthermore, iMG
    presence significantly contributes to the supernatant’s inflammatory secretome
    and increases retinal cell proliferation. Simultaneous exposure to the non-steroidal
    anti-inflammatory drug (NSAID) ibuprofen dampens POLY(I:C)-mediated consequences
    of the iMG phenotype and ameliorates cell proliferation. Remarkably, while POLY(I:C)
    disrupts neuronal calcium dynamics independent of iMG presence, ibuprofen rescues
    this effect only in the presence of iMG. Mechanistically, ibuprofen blocks the
    enzymes cyclooxygenase 1 and 2 (COX1/ PTGS1 and COX2/ PTGS2) simultaneously, from
    which iMG predominantly express COX1. Selective inhibition of COX1 does not restore
    the calcium peak amplitude upon POLY(I:C) stimulation, indicating ibuprofen’s
    effect depends on the presence and interplay of both, COX1 and COX2. \r\nIn summary,
    we characterized the 3D-retinal organoid model for the occurrence of IBA1+-microglia
    like cells. As the innately developing IBA1+-cells enrich in mesenchymal over
    retinal structures, we optimized a protocol to differentiate IBA1+-microglia precursors.
    By combining these two models we generate microglia-assembled retinal organoids.
    Our results underscore the importance of microglia during neurodevelopment, in
    the context of prenatal immune challenges and provide insight into the mechanisms
    by which ibuprofen exerts its protective effects during embryonic development."
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Verena
  full_name: Hübschmann, Verena
  id: 32B7C918-F248-11E8-B48F-1D18A9856A87
  last_name: Hübschmann
citation:
  ama: Schmied V. Human microglia impact neuronal development in retinal organoids.
    2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20074">10.15479/AT-ISTA-20074</a>
  apa: Schmied, V. (2025). <i>Human microglia impact neuronal development in retinal
    organoids</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20074">https://doi.org/10.15479/AT-ISTA-20074</a>
  chicago: Schmied, Verena. “Human Microglia Impact Neuronal Development in Retinal
    Organoids.” Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20074">https://doi.org/10.15479/AT-ISTA-20074</a>.
  ieee: V. Schmied, “Human microglia impact neuronal development in retinal organoids,”
    Institute of Science and Technology Austria, 2025.
  ista: Schmied V. 2025. Human microglia impact neuronal development in retinal organoids.
    Institute of Science and Technology Austria.
  mla: Schmied, Verena. <i>Human Microglia Impact Neuronal Development in Retinal
    Organoids</i>. Institute of Science and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20074">10.15479/AT-ISTA-20074</a>.
  short: V. Schmied, Human Microglia Impact Neuronal Development in Retinal Organoids,
    Institute of Science and Technology Austria, 2025.
corr_author: '1'
date_created: 2025-07-24T12:37:22Z
date_published: 2025-07-24T00:00:00Z
date_updated: 2026-08-12T08:45:16Z
day: '24'
ddc:
- '570'
degree_awarded: PhD
department:
- _id: GradSch
- _id: SaSi
doi: 10.15479/AT-ISTA-20074
doi_confirm: '1'
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fulldoi: https://doi.org/10.15479/AT-ISTA-20074
has_accepted_license: '1'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: '151'
project:
- _id: 9B99D380-BA93-11EA-9121-9846C619BF3A
  grant_number: SC19-017
  name: How human microglia shape developing neurons during health and inflammation
publication_identifier:
  isbn:
  - 978-3-99078-060-2
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '11478'
    relation: part_of_dissertation
    status: public
  - id: '19593'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Sandra
  full_name: Siegert, Sandra
  id: 36ACD32E-F248-11E8-B48F-1D18A9856A87
  last_name: Siegert
  orcid: 0000-0001-8635-0877
title: Human microglia impact neuronal development in retinal organoids
tmp:
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  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
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  short: CC BY (4.0)
type: dissertation
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '20342'
abstract:
- lang: eng
  text: Safety and liveness stand as fundamental concepts in formal languages, playing
    a key role in verification. The safety-liveness classification of boolean properties
    characterizes whether a given property can be falsified by observing a finite
    prefix of an infinite computation trace (always for safety, never for liveness).
    In the quantitative setting, properties are arbitrary functions from infinite
    words to partially-ordered domains. Extending this paradigm to the quantitative
    domain, where properties are arbitrary functions mapping infinite words to partially-ordered
    domains, we introduce and study the notions of quantitative safety and liveness.
    First, we formally define quantitative safety and liveness, and prove that our
    definitions induce conservative quantitative generalizations of both the safety-progress
    hierarchy and the safety-liveness decomposition of boolean properties. Consequently,
    like their boolean counterparts, quantitative properties can be min-decomposed
    into safety and liveness parts, or alternatively, max-decomposed into co-safety
    and co-liveness parts. We further establish a connection between quantitative
    safety and topological continuity and provide alternative characterizations of
    quantitative safety and liveness in terms of their boolean analogs. Second, we
    instantiate our framework with the specific classes of quantitative properties
    expressed by automata. These quantitative automata contain finitely many states
    and rational-valued transition weights, and their common value functions Inf,
    Sup, LimInf, LimSup, LimInfAvg, LimSupAvg, and DSum map infinite words into the
    totally-ordered domain of real numbers. For all common value functions, we provide
    a procedure for deciding whether a given automaton is safe or live, we show how
    to construct its safety closure, and we present a min-decomposition into safe
    and live automata.
acknowledgement: This work was supported in part by the ERC-2020-AdG 101020093 and
  the Israel Science Foundation grant 2410/22. N. Mazzocchi was affiliated with ISTA
  when this work was submitted for publication.
article_number: '13149'
article_processing_charge: Yes
article_type: original
arxiv: 1
author:
- first_name: Udi
  full_name: Boker, Udi
  id: 31E297B6-F248-11E8-B48F-1D18A9856A87
  last_name: Boker
- first_name: Thomas A
  full_name: Henzinger, Thomas A
  id: 40876CD8-F248-11E8-B48F-1D18A9856A87
  last_name: Henzinger
  orcid: 0000-0002-2985-7724
- first_name: Nicolas Adrien
  full_name: Mazzocchi, Nicolas Adrien
  id: b26baa86-3308-11ec-87b0-8990f34baa85
  last_name: Mazzocchi
- first_name: Naci E
  full_name: Sarac, Naci E
  id: 8C6B42F8-C8E6-11E9-A03A-F2DCE5697425
  last_name: Sarac
citation:
  ama: Boker U, Henzinger TA, Mazzocchi NA, Sarac NE. Safety and liveness of quantitative
    properties and automata. <i>Logical Methods in Computer Science</i>. 2025;21(2).
    doi:<a href="https://doi.org/10.46298/lmcs-21(2:2)2025">10.46298/lmcs-21(2:2)2025</a>
  apa: Boker, U., Henzinger, T. A., Mazzocchi, N. A., &#38; Sarac, N. E. (2025). Safety
    and liveness of quantitative properties and automata. <i>Logical Methods in Computer
    Science</i>. EPI Sciences. <a href="https://doi.org/10.46298/lmcs-21(2:2)2025">https://doi.org/10.46298/lmcs-21(2:2)2025</a>
  chicago: Boker, Udi, Thomas A Henzinger, Nicolas Adrien Mazzocchi, and Naci E Sarac.
    “Safety and Liveness of Quantitative Properties and Automata.” <i>Logical Methods
    in Computer Science</i>. EPI Sciences, 2025. <a href="https://doi.org/10.46298/lmcs-21(2:2)2025">https://doi.org/10.46298/lmcs-21(2:2)2025</a>.
  ieee: U. Boker, T. A. Henzinger, N. A. Mazzocchi, and N. E. Sarac, “Safety and liveness
    of quantitative properties and automata,” <i>Logical Methods in Computer Science</i>,
    vol. 21, no. 2. EPI Sciences, 2025.
  ista: Boker U, Henzinger TA, Mazzocchi NA, Sarac NE. 2025. Safety and liveness of
    quantitative properties and automata. Logical Methods in Computer Science. 21(2),
    13149.
  mla: Boker, Udi, et al. “Safety and Liveness of Quantitative Properties and Automata.”
    <i>Logical Methods in Computer Science</i>, vol. 21, no. 2, 13149, EPI Sciences,
    2025, doi:<a href="https://doi.org/10.46298/lmcs-21(2:2)2025">10.46298/lmcs-21(2:2)2025</a>.
  short: U. Boker, T.A. Henzinger, N.A. Mazzocchi, N.E. Sarac, Logical Methods in
    Computer Science 21 (2025).
corr_author: '1'
date_created: 2025-09-11T12:17:52Z
date_published: 2025-04-08T00:00:00Z
date_updated: 2026-08-12T08:46:05Z
day: '08'
ddc:
- '000'
department:
- _id: GradSch
- _id: ToHe
doi: 10.46298/lmcs-21(2:2)2025
ec_funded: 1
external_id:
  arxiv:
  - '2307.06016'
  isi:
  - '001468887900001'
file:
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  checksum: 0b4d477bd981379724c35a4de2c176e5
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  creator: esarac
  date_created: 2025-09-11T12:17:12Z
  date_updated: 2025-09-11T12:17:12Z
  file_id: '20343'
  file_name: 2307.06016.pdf
  file_size: 709584
  relation: main_file
  success: 1
file_date_updated: 2025-09-11T12:17:12Z
fulldoi: https://doi.org/10.46298/lmcs-21(2:2)2025
has_accepted_license: '1'
intvolume: '        21'
isi: 1
issue: '2'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
project:
- _id: 62781420-2b32-11ec-9570-8d9b63373d4d
  call_identifier: H2020
  grant_number: '101020093'
  name: Vigilant Algorithmic Monitoring of Software
publication: Logical Methods in Computer Science
publication_identifier:
  eissn:
  - 1860-5974
publication_status: published
publisher: EPI Sciences
quality_controlled: '1'
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    relation: dissertation_contains
    status: public
scopus_import: '1'
status: public
title: Safety and liveness of quantitative properties and automata
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 21
year: '2025'
...
---
OA_place: publisher
_id: '20147'
abstract:
- lang: eng
  text: "Quantitative properties offer a framework for specifying and verifying system
    behaviors beyond the traditional boolean perspective. For example, while a boolean
    property may specify whether a server eventually grants every request it receives,
    a quantitative one may map each server execution to its average response time.
    This quantitative view is relatively well-studied in the context of static verification.
    However, although such properties often appear in practice as performance or robustness
    measures in a dynamic verification context, a general theoretical framework for
    their analysis and classification from a monitoring perspective is still missing.\r\n\r\nIn
    this thesis, we aim to develop such a framework that takes resource-precision
    tradeoffs of monitors as a central consideration. We present the first theory
    of monitorability for quantitative properties where monitors can be naturally
    approximate and compared regarding their precision and resource use. In particular,
    we show that additional monitor resources such as registers or states lead to
    strictly better approximations for some properties. To enable such analyses in
    a machine-model independent way, we describe an abstract notion of monitors that
    can be instantiated with concrete models of monitors. Within this framework, we
    study how abstract monitors behave and identify classes of properties amenable
    to approximate monitoring with resource-precision considerations. We then extend
    the boolean safety-liveness dichotomy and safety-progress hierarchy to the quantitative
    setting with a monitoring perspective. In particular, we prove that every property
    is the pointwise minimum of a safety property and a liveness property, and properties
    that are both safe and co-safe can be approximately monitored arbitrarily precisely
    using only finitely many states. We also study the classes of quantitative properties
    definable by finite-state quantitative automata and provide algorithms for deciding
    their safety or liveness as well as their safety-liveness decompositions. Finally,
    we present the first general-purpose tool for automating the analysis, verification,
    and monitoring of quantitative automata.\r\n\r\n\r\n"
acknowledgement: "This work was supported in part by the Austrian Science Fund (FWF)\r\nunder
  grant Z211-N23 (Wittgenstein Award) and the ERC-2020-AdG 101020093.\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Naci E
  full_name: Sarac, Naci E
  id: 8C6B42F8-C8E6-11E9-A03A-F2DCE5697425
  last_name: Sarac
citation:
  ama: Sarac NE. A monitoring-oriented theory and classification of quantitative specifications.
    2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20147">10.15479/AT-ISTA-20147</a>
  apa: Sarac, N. E. (2025). <i>A monitoring-oriented theory and classification of
    quantitative specifications</i>. Institute of Science and Technology Austria.
    <a href="https://doi.org/10.15479/AT-ISTA-20147">https://doi.org/10.15479/AT-ISTA-20147</a>
  chicago: Sarac, Naci E. “A Monitoring-Oriented Theory and Classification of Quantitative
    Specifications.” Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20147">https://doi.org/10.15479/AT-ISTA-20147</a>.
  ieee: N. E. Sarac, “A monitoring-oriented theory and classification of quantitative
    specifications,” Institute of Science and Technology Austria, 2025.
  ista: Sarac NE. 2025. A monitoring-oriented theory and classification of quantitative
    specifications. Institute of Science and Technology Austria.
  mla: Sarac, Naci E. <i>A Monitoring-Oriented Theory and Classification of Quantitative
    Specifications</i>. Institute of Science and Technology Austria, 2025, doi:<a
    href="https://doi.org/10.15479/AT-ISTA-20147">10.15479/AT-ISTA-20147</a>.
  short: N.E. Sarac, A Monitoring-Oriented Theory and Classification of Quantitative
    Specifications, Institute of Science and Technology Austria, 2025.
corr_author: '1'
date_created: 2025-08-07T15:57:57Z
date_published: 2025-08-07T00:00:00Z
date_updated: 2026-08-12T08:46:04Z
day: '07'
ddc:
- '000'
degree_awarded: PhD
department:
- _id: GradSch
- _id: ToHe
doi: 10.15479/AT-ISTA-20147
doi_confirm: '1'
ec_funded: 1
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has_accepted_license: '1'
language:
- iso: eng
month: '08'
oa: 1
oa_version: Published Version
page: '149'
project:
- _id: 25F42A32-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z211
  name: Formal methods for the design and analysis of complex systems
- _id: 62781420-2b32-11ec-9570-8d9b63373d4d
  call_identifier: H2020
  grant_number: '101020093'
  name: Vigilant Algorithmic Monitoring of Software
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
publisher_comment: "In reference to IEEE copyrighted material which is used with permission
  in this thesis, the IEEE does not\r\nendorse any of ISTA's products or services.
  Internal or personal use of this\r\nmaterial is permitted. If interested in reprinting/republishing
  IEEE copyrighted material for advertising or promotional\r\npurposes or for creating
  new collective works for resale or redistribution, please go to\r\nhttp://www.ieee.org/publications_standards/publications/rights/rights_link.html
  to learn how to obtain a License from\r\nRightsLink.  If applicable, University
  Microfilms and/or ProQuest Library, or the Archives of Canada may supply single
  copies of the dissertation."
related_material:
  record:
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    status: public
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    relation: part_of_dissertation
    status: deleted
  - id: '19741'
    relation: part_of_dissertation
    status: public
  - id: '19643'
    relation: part_of_dissertation
    status: deleted
  - id: '17634'
    relation: part_of_dissertation
    status: public
  - id: '13221'
    relation: part_of_dissertation
    status: public
  - id: '9356'
    relation: part_of_dissertation
    status: public
  - id: '20342'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Thomas A
  full_name: Henzinger, Thomas A
  id: 40876CD8-F248-11E8-B48F-1D18A9856A87
  last_name: Henzinger
  orcid: 0000-0002-2985-7724
title: A monitoring-oriented theory and classification of quantitative specifications
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
_id: '20167'
acknowledged_ssus:
- _id: Bio
- _id: LifeSc
acknowledgement: "This work was supported by EMBO (ALTF 302-2019 to Niko Amin-Wetzel),
  the FWF\r\n(ESPRIT PR1054E140 to Niko Amin-Wetzel), the European Research Council\r\n(Advanced
  Grant 269058 to Mario de Bono) and Wellcome (209504/A/17/Z\r\nInvestigator Award
  to Mario de Bono). "
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Hanna
  full_name: Schön, Hanna
  id: C8E17EDC-D7AA-11E9-B7B7-45ECE5697425
  last_name: Schön
citation:
  ama: Schön H. The ER complex SUTU-7/MACO-1 regulates the fate of mRNAs encoding
    GPCRs. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-20167">10.15479/AT-ISTA-20167</a>
  apa: Schön, H. (2025). <i>The ER complex SUTU-7/MACO-1 regulates the fate of mRNAs
    encoding GPCRs</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-20167">https://doi.org/10.15479/AT-ISTA-20167</a>
  chicago: Schön, Hanna. “The ER Complex SUTU-7/MACO-1 Regulates the Fate of MRNAs
    Encoding GPCRs.” Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-20167">https://doi.org/10.15479/AT-ISTA-20167</a>.
  ieee: H. Schön, “The ER complex SUTU-7/MACO-1 regulates the fate of mRNAs encoding
    GPCRs,” Institute of Science and Technology Austria, 2025.
  ista: Schön H. 2025. The ER complex SUTU-7/MACO-1 regulates the fate of mRNAs encoding
    GPCRs. Institute of Science and Technology Austria.
  mla: Schön, Hanna. <i>The ER Complex SUTU-7/MACO-1 Regulates the Fate of MRNAs Encoding
    GPCRs</i>. Institute of Science and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-20167">10.15479/AT-ISTA-20167</a>.
  short: H. Schön, The ER Complex SUTU-7/MACO-1 Regulates the Fate of MRNAs Encoding
    GPCRs, Institute of Science and Technology Austria, 2025.
corr_author: '1'
date_created: 2025-08-13T11:13:13Z
date_published: 2025-08-13T00:00:00Z
date_updated: 2026-08-13T13:05:37Z
day: '13'
ddc:
- '570'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MaDe
doi: 10.15479/AT-ISTA-20167
doi_confirm: '1'
file:
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  date_created: 2025-09-08T14:33:50Z
  date_updated: 2025-09-09T08:57:04Z
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  file_name: 2025_Schoen_Hanna_Thesis.docx
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  creator: hschoen
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  date_updated: 2026-08-13T13:05:36Z
  embargo: 2027-03-15
  embargo_to: open_access
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  file_name: 2025_Schoen_Hanna_Thesis.pdf
  file_size: 9667057
  relation: main_file
file_date_updated: 2026-08-13T13:05:36Z
fulldoi: https://doi.org/10.15479/AT-ISTA-20167
has_accepted_license: '1'
language:
- iso: eng
month: '08'
oa_version: Published Version
page: '171'
project:
- _id: 23870BE8-32DE-11EA-91FC-C7463DDC885E
  grant_number: 209504/A/17/Z
  name: Molecular mechanisms of neural circuit function
- _id: 23813290-32DE-11EA-91FC-C7463DDC885E
  grant_number: ALTF 302-2019
  name: Control of gene expression at the endoplasmic reticulum
publication_identifier:
  isbn:
  - 978-3-99078-061-9
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
status: public
supervisor:
- first_name: Mario
  full_name: de Bono, Mario
  id: 4E3FF80E-F248-11E8-B48F-1D18A9856A87
  last_name: de Bono
  orcid: 0000-0001-8347-0443
title: The ER complex SUTU-7/MACO-1 regulates the fate of mRNAs encoding GPCRs
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '20538'
abstract:
- lang: eng
  text: In this study, we describe an integrated approach for methyl group assignment
    comprising precursor-based selective methyl group labeling, a novel pulse sequence
    for methyl to backbone coherence transfer and chemical shift predictions using
    UCBShift 2.0. The utility of this novel α-ketoacid isotopologue is shown by the
    adaptation of an HMBC-HMQC pulse sequence that simultaneously connects geminal
    methyl groups of leucine and valine residues to each other and to the protein
    backbone. By additional 13C,2H-labeling of residues other than valine and leucine
    residues of the protein, important chemical shift information about neighboring
    residues (following valine and leucine residues) can be achieved. Thus, different
    valine and leucine residues in a protein can be characterized as a specific chemical
    shift vector. Frequency matching with predicted chemical shifts via UCBShift 2.0
    using experimental data taken from a subset of the BMRB database revealed a correct
    assignment performance of about 90%. With applications to proteins of 60.2 kDa
    and 134 kDa (4 × 33.5 kDa) in size, we demonstrate that the approach provides
    valuable information even for very large proteins.
acknowledged_ssus:
- _id: NMR
- _id: LifeSc
acknowledgement: A.L.P and G.T were funded by the “New Ideas” program by Vienna Doctoral
  School in Chemistry. S.K. was funded by the Austrian Science Fund FWF P35098-B.
  This work was supported financially by the Austrian Science Fund (FWF, grant numbers
  I06223 and I5812-B, “AlloSpace”). This research was supported by the Scientific
  Service Units (SSU) of Institute of Science and Technology Austria (ISTA) through
  resources provided by the Nuclear Magnetic Resonance Facility and the Lab Support
  Facility (LSF). We thank Celina Sailer for assistance with the analysis of the NMR
  spectrum of HsTom70.
article_number: '169465'
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Sonja
  full_name: Knödlstorfer, Sonja
  last_name: Knödlstorfer
- first_name: Giorgia
  full_name: Toscano, Giorgia
  id: 334a5e40-8747-11f0-b671-ba1f5154b4b4
  last_name: Toscano
- first_name: Aleksandra L.
  full_name: Ptaszek, Aleksandra L.
  last_name: Ptaszek
- first_name: Georg
  full_name: Kontaxis, Georg
  last_name: Kontaxis
- first_name: Federico
  full_name: Napoli, Federico
  id: d42e08e7-f4fc-11eb-af0a-d71e26138f1b
  last_name: Napoli
  orcid: 0000-0002-9043-136X
- first_name: Jakob
  full_name: Schneider, Jakob
  id: 64368429-eb97-11eb-a6c2-c980b1f44415
  last_name: Schneider
- first_name: Katharina
  full_name: Maier, Katharina
  last_name: Maier
- first_name: Anna
  full_name: Kapitonova, Anna
  id: 9fb2a840-89e1-11ee-a8b7-cc5c7ba62471
  last_name: Kapitonova
- first_name: Roman J.
  full_name: Lichtenecker, Roman J.
  last_name: Lichtenecker
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
- first_name: Robert
  full_name: Konrat, Robert
  last_name: Konrat
citation:
  ama: Knödlstorfer S, Toscano G, Ptaszek AL, et al. A novel HMBC-CC-HMQC NMR strategy
    for methyl assignment using triple-13C-labeled α-ketoisovalerate integrated with
    UCBShift 2.0. <i>Journal of Molecular Biology</i>. 2025;437(23). doi:<a href="https://doi.org/10.1016/j.jmb.2025.169465">10.1016/j.jmb.2025.169465</a>
  apa: Knödlstorfer, S., Toscano, G., Ptaszek, A. L., Kontaxis, G., Napoli, F., Schneider,
    J., … Konrat, R. (2025). A novel HMBC-CC-HMQC NMR strategy for methyl assignment
    using triple-13C-labeled α-ketoisovalerate integrated with UCBShift 2.0. <i>Journal
    of Molecular Biology</i>. Elsevier. <a href="https://doi.org/10.1016/j.jmb.2025.169465">https://doi.org/10.1016/j.jmb.2025.169465</a>
  chicago: Knödlstorfer, Sonja, Giorgia Toscano, Aleksandra L. Ptaszek, Georg Kontaxis,
    Federico Napoli, Jakob Schneider, Katharina Maier, et al. “A Novel HMBC-CC-HMQC
    NMR Strategy for Methyl Assignment Using Triple-13C-Labeled α-Ketoisovalerate
    Integrated with UCBShift 2.0.” <i>Journal of Molecular Biology</i>. Elsevier,
    2025. <a href="https://doi.org/10.1016/j.jmb.2025.169465">https://doi.org/10.1016/j.jmb.2025.169465</a>.
  ieee: S. Knödlstorfer <i>et al.</i>, “A novel HMBC-CC-HMQC NMR strategy for methyl
    assignment using triple-13C-labeled α-ketoisovalerate integrated with UCBShift
    2.0,” <i>Journal of Molecular Biology</i>, vol. 437, no. 23. Elsevier, 2025.
  ista: Knödlstorfer S, Toscano G, Ptaszek AL, Kontaxis G, Napoli F, Schneider J,
    Maier K, Kapitonova A, Lichtenecker RJ, Schanda P, Konrat R. 2025. A novel HMBC-CC-HMQC
    NMR strategy for methyl assignment using triple-13C-labeled α-ketoisovalerate
    integrated with UCBShift 2.0. Journal of Molecular Biology. 437(23), 169465.
  mla: Knödlstorfer, Sonja, et al. “A Novel HMBC-CC-HMQC NMR Strategy for Methyl Assignment
    Using Triple-13C-Labeled α-Ketoisovalerate Integrated with UCBShift 2.0.” <i>Journal
    of Molecular Biology</i>, vol. 437, no. 23, 169465, Elsevier, 2025, doi:<a href="https://doi.org/10.1016/j.jmb.2025.169465">10.1016/j.jmb.2025.169465</a>.
  short: S. Knödlstorfer, G. Toscano, A.L. Ptaszek, G. Kontaxis, F. Napoli, J. Schneider,
    K. Maier, A. Kapitonova, R.J. Lichtenecker, P. Schanda, R. Konrat, Journal of
    Molecular Biology 437 (2025).
date_created: 2025-10-26T23:01:35Z
date_published: 2025-12-01T00:00:00Z
date_updated: 2026-08-13T14:19:02Z
day: '01'
ddc:
- '540'
department:
- _id: PaSc
- _id: GradSch
doi: 10.1016/j.jmb.2025.169465
external_id:
  pmid:
  - '41016549'
file:
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  checksum: feb92f9c79032c261165f4ca573f444a
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  creator: dernst
  date_created: 2025-12-30T10:29:08Z
  date_updated: 2025-12-30T10:29:08Z
  file_id: '20915'
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file_date_updated: 2025-12-30T10:29:08Z
fulldoi: https://doi.org/10.1016/j.jmb.2025.169465
has_accepted_license: '1'
intvolume: '       437'
issue: '23'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: bdb9578d-d553-11ed-ba76-ed5d39fce6f0
  grant_number: I06223
  name: Structure and mechanism of the mitochondrial MIM insertase
- _id: eb9c82eb-77a9-11ec-83b8-aadd536561cf
  grant_number: I05812
  name: AlloSpace. The emergence and mechanisms of allostery
publication: Journal of Molecular Biology
publication_identifier:
  eissn:
  - 1089-8638
  issn:
  - 0022-2836
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: A novel HMBC-CC-HMQC NMR strategy for methyl assignment using triple-13C-labeled
  α-ketoisovalerate integrated with UCBShift 2.0
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 437
year: '2025'
...
---
OA_place: publisher
_id: '19395'
abstract:
- lang: eng
  text: "Plant growth and development rely significantly on phytohormones, with auxin
    serving as a master regulator, orchestrating processes from embryogenesis to organogenesis,
    vascular patterning, and environmental adaptation. Since its conceptual proposition
    by Charles Darwin in 1880 as an endogenous chemical signal influencing phototropism
    in grass, auxin has captivated scientists seeking to understand how such a small
    molecule exerts a profound influence on plant development.\r\nOne particularly
    fascinating aspect of auxin function is its ability to self-organize its transport.
    Through a feedback mechanism between auxin perception and directional transport—primarily
    mediated by PIN auxin transporters—auxin establishes narrow transport channels.
    This phenomenon, known as auxin canalization, is fundamental to vascular formation,
    regeneration, and other key developmental processes. Despite advances in our understanding,
    driven by experimental studies and computational models, auxin canalization remains
    an enigma, with many unanswered questions.\r\nLike other hormones, auxin functions
    through intricate signaling pathways. It operates through at least two distinct
    signaling mechanisms: the well-characterized canonical pathway and the less understood
    non-canonical pathway. While significant progress has been made in elucidating
    the canonical pathway, the non-canonical mechanisms remain less defined and require
    further investigation.\r\nIn this study, we revisit the non-canonical auxin signaling
    pathway mediated by the cell-surface complex Auxin Binding Protein 1-Transmembrane
    Kinase 1 (ABP1-TMK1), with a particular focus on its downstream phosphorylation
    events. We reveal that this auxin-mediated phosphorylation is conserved across
    the green lineage, underscoring its fundamental role in plant development. We
    explore key phosphorylation targets, particularly PIN2, which is essential for
    root gravitropism. To further understand TMK1’s role in diverse developmental
    processes, we identified and investigated its interactors as potential co-receptors
    or regulatory components within its signaling network.\r\nGiven the previously
    established role of ABP1-TMK1 in auxin canalization, we sought to further investigate
    this process and identified several TMK1 interactors also involved in this intricate
    mechanism.\r\nThese findings provide new insights into the complex regulation
    of auxin canalization, highlighting a broader and more interconnected signaling
    framework than previously understood."
acknowledged_ssus:
- _id: LifeSc
- _id: Bio
acknowledgement: I would like to acknowledge the facilities at ISTA, particularly
  LSF, IOF, and, of course, the plant facility, for providing the necessary resources
  for my research.
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Aline
  full_name: Monzer, Aline
  id: 2DB5D88C-D7B3-11E9-B8FD-7907E6697425
  last_name: Monzer
citation:
  ama: 'Monzer A. Cell-surface auxin signaling: Linking molecular pathways to plant
    development. 2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-19395">10.15479/AT-ISTA-19395</a>'
  apa: 'Monzer, A. (2025). <i>Cell-surface auxin signaling: Linking molecular pathways
    to plant development</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-19395">https://doi.org/10.15479/AT-ISTA-19395</a>'
  chicago: 'Monzer, Aline. “Cell-Surface Auxin Signaling: Linking Molecular Pathways
    to Plant Development.” Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-19395">https://doi.org/10.15479/AT-ISTA-19395</a>.'
  ieee: 'A. Monzer, “Cell-surface auxin signaling: Linking molecular pathways to plant
    development,” Institute of Science and Technology Austria, 2025.'
  ista: 'Monzer A. 2025. Cell-surface auxin signaling: Linking molecular pathways
    to plant development. Institute of Science and Technology Austria.'
  mla: 'Monzer, Aline. <i>Cell-Surface Auxin Signaling: Linking Molecular Pathways
    to Plant Development</i>. Institute of Science and Technology Austria, 2025, doi:<a
    href="https://doi.org/10.15479/AT-ISTA-19395">10.15479/AT-ISTA-19395</a>.'
  short: 'A. Monzer, Cell-Surface Auxin Signaling: Linking Molecular Pathways to Plant
    Development, Institute of Science and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-03-12T14:25:42Z
date_published: 2025-03-13T00:00:00Z
date_updated: 2026-08-14T09:33:46Z
day: '13'
ddc:
- '580'
degree_awarded: PhD
department:
- _id: GradSch
- _id: JiFr
doi: 10.15479/AT-ISTA-19395
doi_confirm: '1'
file:
- access_level: open_access
  checksum: 9a3dd03bb4ec6b9907a325c3c4e8a1d7
  content_type: application/pdf
  creator: amonzer
  date_created: 2025-03-12T14:14:49Z
  date_updated: 2025-03-12T14:14:49Z
  file_id: '19396'
  file_name: Final Thesis Aline Monzer.pdf
  file_size: 13119670
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page: '160'
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  eissn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
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  - id: '19398'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Jiří
  full_name: Friml, Jiří
  id: 4159519E-F248-11E8-B48F-1D18A9856A87
  last_name: Friml
  orcid: 0000-0002-8302-7596
title: 'Cell-surface auxin signaling: Linking molecular pathways to plant development'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
OA_place: repository
OA_type: green
_id: '19398'
abstract:
- lang: eng
  text: Receptor-like kinases (RLKs), particularly the Transmembrane Kinase (TMK)
    family, play essential roles in signaling and development, with TMKs being key
    components of auxin perception and downstream phosphorylation events. While TMKs’
    involvement in auxin canalization, a process essential for vasculature formation
    and regeneration, has been established, nonetheless, the additional signaling
    and regulatory partners remain poorly understood. In this study, we identify and
    characterize seven leucine-rich repeat RLKs (TINT1–TINT7) as novel interactors
    of TMK1, revealing their diverse evolutionary, structural, and functional characteristics.
    Our results show that TINTs interact with TMK1 and highlight their roles in regulating
    various developmental processes. Majority of TINTs contributes, together with
    TMK1, to auxin canalization, with TINT5 linking TMK1 to other canalization component
    CAMEL. Beyond canalization, we also establish the role of TINT-TMK1 interactions
    in processes such as stomatal movement and the hypocotyl’s gravitropic response.
    These findings suggest that TINTs, through their interaction with TMK1, are integral
    components of various signaling networks, contributing to both auxin canalization
    and broader plant development.
acknowledged_ssus:
- _id: Bio
- _id: LifeSc
acknowledgement: We deeply appreciate M. Wrzaczek’s constructive input and insightful
  discussions, which significantly enriched this work. We thank L. Fiedler for helping
  with the heat map and for the discussions. We also thank the facilities at ISTA,
  the imaging and optics (IOF) and Lab Support (LSF) facilities for their service
  and assistance.
article_processing_charge: No
author:
- first_name: Aline
  full_name: Monzer, Aline
  id: 2DB5D88C-D7B3-11E9-B8FD-7907E6697425
  last_name: Monzer
- first_name: Ewa
  full_name: Mazur, Ewa
  last_name: Mazur
- first_name: Lesia
  full_name: Rodriguez Solovey, Lesia
  id: 3922B506-F248-11E8-B48F-1D18A9856A87
  last_name: Rodriguez Solovey
  orcid: 0000-0002-7244-7237
- first_name: Michelle C
  full_name: Gallei, Michelle C
  id: 35A03822-F248-11E8-B48F-1D18A9856A87
  last_name: Gallei
  orcid: 0000-0003-1286-7368
- first_name: Minxia
  full_name: Zou, Minxia
  id: 5c243f41-03f3-11ec-841c-96faf48a7ef9
  last_name: Zou
- first_name: Michael
  full_name: Smejkal, Michael
  id: 79a5a1be-04a3-11f0-ba18-a1730e0b58e9
  last_name: Smejkal
- first_name: Ema
  full_name: Cervenova, Ema
  id: 9f185b95-04a3-11f0-8245-f5e32eeb470f
  last_name: Cervenova
- first_name: Jiří
  full_name: Friml, Jiří
  id: 4159519E-F248-11E8-B48F-1D18A9856A87
  last_name: Friml
  orcid: 0000-0002-8302-7596
citation:
  ama: Monzer A, Mazur E, Rodriguez Solovey L, et al. TMK interacting network of receptor
    like kinases for auxin canalization and beyond. <i>bioRxiv</i>. doi:<a href="https://doi.org/10.1101/2025.02.28.640727">10.1101/2025.02.28.640727</a>
  apa: Monzer, A., Mazur, E., Rodriguez Solovey, L., Gallei, M. C., Zou, M., Smejkal,
    M., … Friml, J. (n.d.). TMK interacting network of receptor like kinases for auxin
    canalization and beyond. <i>bioRxiv</i>. <a href="https://doi.org/10.1101/2025.02.28.640727">https://doi.org/10.1101/2025.02.28.640727</a>
  chicago: Monzer, Aline, Ewa Mazur, Lesia Rodriguez Solovey, Michelle C Gallei, Minxia
    Zou, Michael Smejkal, Ema Cervenova, and Jiří Friml. “TMK Interacting Network
    of Receptor like Kinases for Auxin Canalization and Beyond.” <i>BioRxiv</i>, n.d.
    <a href="https://doi.org/10.1101/2025.02.28.640727">https://doi.org/10.1101/2025.02.28.640727</a>.
  ieee: A. Monzer <i>et al.</i>, “TMK interacting network of receptor like kinases
    for auxin canalization and beyond,” <i>bioRxiv</i>. .
  ista: Monzer A, Mazur E, Rodriguez Solovey L, Gallei MC, Zou M, Smejkal M, Cervenova
    E, Friml J. TMK interacting network of receptor like kinases for auxin canalization
    and beyond. bioRxiv, <a href="https://doi.org/10.1101/2025.02.28.640727">10.1101/2025.02.28.640727</a>.
  mla: Monzer, Aline, et al. “TMK Interacting Network of Receptor like Kinases for
    Auxin Canalization and Beyond.” <i>BioRxiv</i>, doi:<a href="https://doi.org/10.1101/2025.02.28.640727">10.1101/2025.02.28.640727</a>.
  short: A. Monzer, E. Mazur, L. Rodriguez Solovey, M.C. Gallei, M. Zou, M. Smejkal,
    E. Cervenova, J. Friml, BioRxiv (n.d.).
corr_author: '1'
das_tickbox: '1'
date_created: 2025-03-12T14:28:53Z
date_published: 2025-03-02T00:00:00Z
date_updated: 2026-08-14T09:33:45Z
day: '02'
ddc:
- '580'
department:
- _id: GradSch
- _id: JiFr
- _id: EvBe
doi: 10.1101/2025.02.28.640727
fulldoi: https://doi.org/10.1101/2025.02.28.640727
has_accepted_license: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1101/2025.02.28.640727
month: '03'
oa: 1
oa_version: Published Version
publication: bioRxiv
publication_status: draft
related_material:
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status: public
title: TMK interacting network of receptor like kinases for auxin canalization and
  beyond
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2025'
...
---
OA_place: publisher
_id: '19684'
abstract:
- lang: eng
  text: "The overarching goal of this thesis is to break down the complexity of turbulent
    flows in terms of enumerable, coherent structures and patterns. In a five-paper
    series, we adopt a variety of perspectives and techniques to relate the properties
    of systems of increasing complexity to their underlying coherent structures. \r\n\r\nInitially,
    we take a dynamical systems point of view, seeing turbulent flow as a chaotic
    trajectory bouncing between exact unstable solutions of the underlying equations
    of motion. Using persistent homology, the main tool of topological data analysis
    capturing the persistence across scales of topological features in a point cloud,
    we introduce a method that quantifies visits of turbulent trajectories to unstable
    time-periodic solutions, also called periodic orbits. We demonstrate this method
    first in the Rössler and Kuramoto–Sivashinsky systems. Using this method in 3D
    Kolmogorov flow, we extract a Markov chain from turbulent data, where each node
    corresponds to the neighbourhood of a periodic orbit. The invariant distribution
    of this Markov chain reproduces expectation values on turbulent data when it is
    used to weight averages on the respective periodic orbits.\r\n\r\nIn more realistic,
    wall-bounded settings, such as plane-Couette flow (pcf) driven by the relative
    motion of the walls, or plane-Poiseuille flow (ppf) driven by a pressure gradient,
    finding exact solutions is difficult. We use dynamic mode decomposition (DMD),
    a dimensionality reduction method for sequential data, to identify and approximate
    low-dimensional dynamics without knowing any exact solutions. Most spatially-extended
    systems are equivariant under translations, and in such cases spatial drifts dominate
    DMD, hindering its use in the search for and modelling of low-dimensional dynamics.
    We augment DMD with a symmetry reduction method trained on turbulent data to stop
    it from seeing translations as a feature, improving its ability to extract dynamical
    information in translation-equivariant systems. We find segments of turbulent
    trajectories that linearize well with their symmetry-reduced DMD spectra, akin
    to dynamics near exact solutions. Searching for harmonics in the spectra gives
    leads for periodic orbits with spatial drifts, one of which converges to a new
    solution.\r\n\r\nIn larger domains, turbulence can localize and coexist with surrounding
    laminar flow. Our preceding approaches are global, taking all of a domain into
    account at once, and cannot readily treat each localized patch individually. Working
    first in a minimal oblique domain that can host a single 1D-localized turbulent
    patch, we find that turbulence in ppf is connected to a stable periodic orbit
    at a flow velocity much lower than when turbulence is first onset. We show that,
    well in advance of sustained turbulence, chaos sets in explosively, and for long
    time horizons, time series are consistent with that of a random process.\r\n\r\nFinally,
    in much larger domains, we study and compare 2D-localized turbulence that appears
    as large-scale inclined structures, called stripes, in ppf and pcf. While appearing
    similar, we find that stripes in these two settings differ significantly in terms
    of how they sustain themselves, and in higher velocities, how they proliferate."
acknowledged_ssus:
- _id: ScienComp
acknowledgement: "The work in this thesis was supported by a grant from the Simons
  Foundation (662960, BH).\r\n"
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Gökhan
  full_name: Yalniz, Gökhan
  id: 66E74FA2-D8BF-11E9-8249-8DE2E5697425
  last_name: Yalniz
  orcid: 0000-0002-8490-9312
citation:
  ama: 'Yalniz G. Transition to turbulence: Data-, solution-, and pattern-driven approaches.
    2025. doi:<a href="https://doi.org/10.15479/AT-ISTA-19684">10.15479/AT-ISTA-19684</a>'
  apa: 'Yalniz, G. (2025). <i>Transition to turbulence: Data-, solution-, and pattern-driven
    approaches</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT-ISTA-19684">https://doi.org/10.15479/AT-ISTA-19684</a>'
  chicago: 'Yalniz, Gökhan. “Transition to Turbulence: Data-, Solution-, and Pattern-Driven
    Approaches.” Institute of Science and Technology Austria, 2025. <a href="https://doi.org/10.15479/AT-ISTA-19684">https://doi.org/10.15479/AT-ISTA-19684</a>.'
  ieee: 'G. Yalniz, “Transition to turbulence: Data-, solution-, and pattern-driven
    approaches,” Institute of Science and Technology Austria, 2025.'
  ista: 'Yalniz G. 2025. Transition to turbulence: Data-, solution-, and pattern-driven
    approaches. Institute of Science and Technology Austria.'
  mla: 'Yalniz, Gökhan. <i>Transition to Turbulence: Data-, Solution-, and Pattern-Driven
    Approaches</i>. Institute of Science and Technology Austria, 2025, doi:<a href="https://doi.org/10.15479/AT-ISTA-19684">10.15479/AT-ISTA-19684</a>.'
  short: 'G. Yalniz, Transition to Turbulence: Data-, Solution-, and Pattern-Driven
    Approaches, Institute of Science and Technology Austria, 2025.'
corr_author: '1'
date_created: 2025-05-12T15:12:28Z
date_published: 2025-05-13T00:00:00Z
date_updated: 2026-09-02T08:16:32Z
day: '13'
ddc:
- '514'
- '519'
- '532'
- '004'
degree_awarded: PhD
department:
- _id: GradSch
- _id: BjHo
doi: 10.15479/AT-ISTA-19684
doi_confirm: '1'
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  description: '3D visualizations of the turbulent flow (left) and the periodic orbits
    (middle) that are being shadowed along with the local state space projections
    (right) onto the principal components of the respective periodic orbit. Shown
    here are the isosurfaces of velocity (red/blue: ±95% of the instantaneous maximum)
    and vorticity (purple/green: ±65% of the instantaneous maximum) in the x-direction.
    Markers along the projections are in sync with the 3D visualizations. The movie
    corresponds to the initial time interval (up to t = 100) of figure 2.2 (a,b);
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    events indicated in figure 2.2 (b).'
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  description: 'Turbulent flow (left) in HKW domain and its symmetry reduction (right).
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    u) and streamwise vorticity (green/purple: ω_x = 0.5 max/min ω_x).'
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  description: 'Turbulent flow (left) in P2K domain and its symmetry reduction (right).
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  description: 'Relative periodic orbit RPO_79.4 (left) of the plane-Couette flow
    (HKW domain) and its symmetry reduction (right). Shown here are the isosurfaces
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  description: 'Symmetry-reduced flow (left), its SRDMD approximation (middle), and
    state space projection (right) showing the spiral-out episode in P2K domain (figure
    3.6 (b) and figure 3.8 (b)). Shown here are the isosurfaces of streamwise velocity
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  description: Movie demonstrating the quasi-steady Reynolds number descent from turbulence
    to a periodic orbit.
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  description: Streamwise velocity fluctuations (from laminar) of plane-Couette flow
    (Re^C =335) at the y = 0 wall-normal plane in coordinates stationary with respect
    to the bulk velocity. Here, x is the streamwise direction (the wall at y = 1 moves
    to the right) and z is the spanwise direction. Time is in advectime time units.
    Shown is the full (L_x = L_z = 400) domain.
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  description: Streamwise velocity fluctuations (from laminar) of plane-Poiseuille
    flow (Re^P =660) at the y = 0.5 wall-normal plane in coordinates stationary with
    respect to the bulk velocity. Here, x is the streamwise direction (the mean negative
    pressure gradient is to the right) and z is the spanwise direction. Time is in
    advectime time units. Shown is the full (L_x = L_z = 400) domain.
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  description: Streamwise velocity fluctuations (from laminar) of plane-Poiseuille
    flow (Re^P=660) at the y = 0.5 wall-normal plane in coordinates stationary with
    respect to the average velocity of the downstream tip of the stripe. Here, x is
    the streamwise direction (the mean negative pressure gradient is to the right)
    and z is the spanwise direction. Time is in advectime time units. Shown is a zoom-in
    of the full (L_x = L_z) domain.
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has_accepted_license: '1'
language:
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month: '05'
oa: 1
oa_version: Published Version
page: '155'
project:
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  grant_number: '662960'
  name: Revisiting the Turbulence Problem Using Statistical Mechanics
publication_identifier:
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publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
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status: public
supervisor:
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  full_name: Hof, Björn
  id: 3A374330-F248-11E8-B48F-1D18A9856A87
  last_name: Hof
  orcid: 0000-0003-2057-2754
title: 'Transition to turbulence: Data-, solution-, and pattern-driven approaches'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
