---
_id: '12879'
abstract:
- lang: eng
  text: Machine learning (ML) has been widely applied to chemical property prediction,
    most prominently for the energies and forces in molecules and materials. The strong
    interest in predicting energies in particular has led to a ‘local energy’-based
    paradigm for modern atomistic ML models, which ensures size-extensivity and a
    linear scaling of computational cost with system size. However, many electronic
    properties (such as excitation energies or ionization energies) do not necessarily
    scale linearly with system size and may even be spatially localized. Using size-extensive
    models in these cases can lead to large errors. In this work, we explore different
    strategies for learning intensive and localized properties, using HOMO energies
    in organic molecules as a representative test case. In particular, we analyze
    the pooling functions that atomistic neural networks use to predict molecular
    properties, and suggest an orbital weighted average (OWA) approach that enables
    the accurate prediction of orbital energies and locations.
acknowledgement: KC acknowledges funding from the China Scholarship Council. KC is
  grateful for the TUM graduate school finance support to visit Bingqing Cheng's group
  in IST for two months. We also thankfully acknowledge computational resources provided
  by the MPCDF Supercomputing Centre.
article_processing_charge: No
article_type: original
author:
- first_name: Ke
  full_name: Chen, Ke
  id: c636c5ca-e8b8-11ed-b2d4-cc2c37613a8d
  last_name: Chen
- first_name: Christian
  full_name: Kunkel, Christian
  last_name: Kunkel
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
- first_name: Karsten
  full_name: Reuter, Karsten
  last_name: Reuter
- first_name: Johannes T.
  full_name: Margraf, Johannes T.
  last_name: Margraf
citation:
  ama: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning
    of localized intensive properties. <i>Chemical Science</i>. 2023. doi:<a href="https://doi.org/10.1039/d3sc00841j">10.1039/d3sc00841j</a>
  apa: Chen, K., Kunkel, C., Cheng, B., Reuter, K., &#38; Margraf, J. T. (2023). Physics-inspired
    machine learning of localized intensive properties. <i>Chemical Science</i>. Royal
    Society of Chemistry. <a href="https://doi.org/10.1039/d3sc00841j">https://doi.org/10.1039/d3sc00841j</a>
  chicago: Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter, and Johannes
    T. Margraf. “Physics-Inspired Machine Learning of Localized Intensive Properties.”
    <i>Chemical Science</i>. Royal Society of Chemistry, 2023. <a href="https://doi.org/10.1039/d3sc00841j">https://doi.org/10.1039/d3sc00841j</a>.
  ieee: K. Chen, C. Kunkel, B. Cheng, K. Reuter, and J. T. Margraf, “Physics-inspired
    machine learning of localized intensive properties,” <i>Chemical Science</i>.
    Royal Society of Chemistry, 2023.
  ista: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. 2023. Physics-inspired machine
    learning of localized intensive properties. Chemical Science.
  mla: Chen, Ke, et al. “Physics-Inspired Machine Learning of Localized Intensive
    Properties.” <i>Chemical Science</i>, Royal Society of Chemistry, 2023, doi:<a
    href="https://doi.org/10.1039/d3sc00841j">10.1039/d3sc00841j</a>.
  short: K. Chen, C. Kunkel, B. Cheng, K. Reuter, J.T. Margraf, Chemical Science (2023).
date_created: 2023-04-30T22:01:06Z
date_published: 2023-04-10T00:00:00Z
date_updated: 2023-08-01T14:18:10Z
day: '10'
ddc:
- '000'
- '540'
department:
- _id: BiCh
doi: 10.1039/d3sc00841j
external_id:
  isi:
  - '000971508100001'
file:
- access_level: open_access
  checksum: 5eeec69a51e192dcd94b955d84423836
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-02T07:17:05Z
  date_updated: 2023-05-02T07:17:05Z
  file_id: '12883'
  file_name: 2023_ChemialScience_Chen.pdf
  file_size: 1515446
  relation: main_file
  success: 1
file_date_updated: 2023-05-02T07:17:05Z
has_accepted_license: '1'
isi: 1
language:
- iso: eng
license: https://creativecommons.org/licenses/by/3.0/
month: '04'
oa: 1
oa_version: Published Version
publication: Chemical Science
publication_identifier:
  eissn:
  - 2041-6539
  issn:
  - 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Physics-inspired machine learning of localized intensive properties
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/3.0/legalcode
  name: Creative Commons Attribution 3.0 Unported (CC BY 3.0)
  short: CC BY (3.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2023'
...
---
_id: '12880'
abstract:
- lang: eng
  text: Peripheral heterochromatin positioning depends on nuclear envelope associated
    proteins and repressive histone modifications. Here we show that overexpression
    (OE) of Lamin B1 (LmnB1) leads to the redistribution of peripheral heterochromatin
    into heterochromatic foci within the nucleoplasm. These changes represent a perturbation
    of heterochromatin binding at the nuclear periphery (NP) through a mechanism independent
    from altering other heterochromatin anchors or histone post-translational modifications.
    We further show that LmnB1 OE alters gene expression. These changes do not correlate
    with different levels of H3K9me3, but a significant number of the misregulated
    genes were likely mislocalized away from the NP upon LmnB1 OE. We also observed
    an enrichment of developmental processes amongst the upregulated genes. ~74% of
    these genes were normally repressed in our cell type, suggesting that LmnB1 OE
    promotes gene de-repression. This demonstrates a broader consequence of LmnB1
    OE on cell fate, and highlights the importance of maintaining proper levels of
    LmnB1.
acknowledgement: 'We thank members of the Hetzer lab for critical review of the manuscript;
  Novogene for mRNA library preparation and sequencing; the Next-Generation Sequencing
  Core Facility at the Salk Institute, with funding from NIH-NCI CCSG: P30 014195,
  the Chapman Foundation, and the Helmsley Charitable Trust, for sequencing Cut&Run
  libraries; and the Waitt Advanced Biophotonics Core Facility at the Salk Institute,
  with funding from NIH-NCI CCSG: P30 014195, the Waitt Foundation, and the Chan-Zuckerberg
  Initiative Imaging Scientist Award, for electron microscopy sample preparation and
  imaging.'
article_number: '2202548'
article_processing_charge: No
article_type: original
author:
- first_name: Jeanae M.
  full_name: Kaneshiro, Jeanae M.
  last_name: Kaneshiro
- first_name: Juliana S.
  full_name: Capitanio, Juliana S.
  last_name: Capitanio
- first_name: Martin W
  full_name: Hetzer, Martin W
  id: 86c0d31b-b4eb-11ec-ac5a-eae7b2e135ed
  last_name: Hetzer
  orcid: 0000-0002-2111-992X
citation:
  ama: Kaneshiro JM, Capitanio JS, Hetzer M. Lamin B1 overexpression alters chromatin
    organization and gene expression. <i>Nucleus</i>. 2023;14(1). doi:<a href="https://doi.org/10.1080/19491034.2023.2202548">10.1080/19491034.2023.2202548</a>
  apa: Kaneshiro, J. M., Capitanio, J. S., &#38; Hetzer, M. (2023). Lamin B1 overexpression
    alters chromatin organization and gene expression. <i>Nucleus</i>. Taylor &#38;
    Francis. <a href="https://doi.org/10.1080/19491034.2023.2202548">https://doi.org/10.1080/19491034.2023.2202548</a>
  chicago: Kaneshiro, Jeanae M., Juliana S. Capitanio, and Martin Hetzer. “Lamin B1
    Overexpression Alters Chromatin Organization and Gene Expression.” <i>Nucleus</i>.
    Taylor &#38; Francis, 2023. <a href="https://doi.org/10.1080/19491034.2023.2202548">https://doi.org/10.1080/19491034.2023.2202548</a>.
  ieee: J. M. Kaneshiro, J. S. Capitanio, and M. Hetzer, “Lamin B1 overexpression
    alters chromatin organization and gene expression,” <i>Nucleus</i>, vol. 14, no.
    1. Taylor &#38; Francis, 2023.
  ista: Kaneshiro JM, Capitanio JS, Hetzer M. 2023. Lamin B1 overexpression alters
    chromatin organization and gene expression. Nucleus. 14(1), 2202548.
  mla: Kaneshiro, Jeanae M., et al. “Lamin B1 Overexpression Alters Chromatin Organization
    and Gene Expression.” <i>Nucleus</i>, vol. 14, no. 1, 2202548, Taylor &#38; Francis,
    2023, doi:<a href="https://doi.org/10.1080/19491034.2023.2202548">10.1080/19491034.2023.2202548</a>.
  short: J.M. Kaneshiro, J.S. Capitanio, M. Hetzer, Nucleus 14 (2023).
corr_author: '1'
date_created: 2023-04-30T22:01:06Z
date_published: 2023-04-18T00:00:00Z
date_updated: 2024-10-09T21:05:01Z
day: '18'
ddc:
- '570'
department:
- _id: MaHe
doi: 10.1080/19491034.2023.2202548
external_id:
  isi:
  - '000971629400001'
  pmid:
  - '37071033'
file:
- access_level: open_access
  checksum: 8e707eda84f64dbad7f03545ae0a83ef
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-02T07:24:55Z
  date_updated: 2023-05-02T07:24:55Z
  file_id: '12884'
  file_name: 2023_Nucleus_Kaneshiro.pdf
  file_size: 3811113
  relation: main_file
  success: 1
file_date_updated: 2023-05-02T07:24:55Z
has_accepted_license: '1'
intvolume: '        14'
isi: 1
issue: '1'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc/4.0/
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
publication: Nucleus
publication_identifier:
  eissn:
  - 1949-1042
  issn:
  - 1949-1034
publication_status: published
publisher: Taylor & Francis
quality_controlled: '1'
scopus_import: '1'
status: public
title: Lamin B1 overexpression alters chromatin organization and gene expression
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: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 14
year: '2023'
...
---
_id: '12890'
abstract:
- lang: eng
  text: We introduce a stochastic cellular automaton as a model for culture and border
    formation. The model can be conceptualized as a game where the expansion rate
    of cultures is quantified in terms of their area and perimeter in such a way that
    approximately geometrically round cultures get a competitive advantage. We first
    analyze the model with periodic boundary conditions, where we study how the model
    can end up in a fixed state, i.e., freezes. Then we implement the model on the
    European geography with mountains and rivers. We see how the model reproduces
    some qualitative features of European culture formation, namely, that rivers and
    mountains are more frequently borders between cultures, mountainous regions tend
    to have higher cultural diversity, and the central European plain has less clear
    cultural borders.
acknowledgement: Thanks to Kim Sneppen, Svend Krøjer, Peter Wildemann, Peter Rasmussen
  and Kent Bækgaard Lauritsen for discussions and suggestions. FRK acknowledges support
  from the Villum Foundation for support through the QMATH center of Excellence (Grant
  No. 10059) and the Villum Young Investigator (Grant No. 25452) programs.
article_number: '054307'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Frederik Ravn
  full_name: Klausen, Frederik Ravn
  last_name: Klausen
- first_name: Asbjørn Bækgaard
  full_name: Lauritsen, Asbjørn Bækgaard
  id: e1a2682f-dc8d-11ea-abe3-81da9ac728f1
  last_name: Lauritsen
  orcid: 0000-0003-4476-2288
citation:
  ama: Klausen FR, Lauritsen AB. Stochastic cellular automaton model of culture formation.
    <i>Physical Review E</i>. 2023;108(5). doi:<a href="https://doi.org/10.1103/PhysRevE.108.054307">10.1103/PhysRevE.108.054307</a>
  apa: Klausen, F. R., &#38; Lauritsen, A. B. (2023). Stochastic cellular automaton
    model of culture formation. <i>Physical Review E</i>. American Physical Society.
    <a href="https://doi.org/10.1103/PhysRevE.108.054307">https://doi.org/10.1103/PhysRevE.108.054307</a>
  chicago: Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular
    Automaton Model of Culture Formation.” <i>Physical Review E</i>. American Physical
    Society, 2023. <a href="https://doi.org/10.1103/PhysRevE.108.054307">https://doi.org/10.1103/PhysRevE.108.054307</a>.
  ieee: F. R. Klausen and A. B. Lauritsen, “Stochastic cellular automaton model of
    culture formation,” <i>Physical Review E</i>, vol. 108, no. 5. American Physical
    Society, 2023.
  ista: Klausen FR, Lauritsen AB. 2023. Stochastic cellular automaton model of culture
    formation. Physical Review E. 108(5), 054307.
  mla: Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular
    Automaton Model of Culture Formation.” <i>Physical Review E</i>, vol. 108, no.
    5, 054307, American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevE.108.054307">10.1103/PhysRevE.108.054307</a>.
  short: F.R. Klausen, A.B. Lauritsen, Physical Review E 108 (2023).
corr_author: '1'
date_created: 2023-05-04T08:35:01Z
date_published: 2023-11-08T00:00:00Z
date_updated: 2025-09-09T12:26:01Z
day: '08'
department:
- _id: GradSch
- _id: RoSe
doi: 10.1103/PhysRevE.108.054307
external_id:
  arxiv:
  - '2305.02153'
  isi:
  - '001106396300005'
  pmid:
  - '38115445'
intvolume: '       108'
isi: 1
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2305.02153
month: '11'
oa: 1
oa_version: Preprint
pmid: 1
publication: Physical Review E
publication_identifier:
  eissn:
  - 2470-0053
  issn:
  - 2470-0045
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/FrederikRavnKlausen/model-for-culture-formation
  record:
  - id: '12869'
    relation: research_data
    status: public
scopus_import: '1'
status: public
title: Stochastic cellular automaton model of culture formation
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 108
year: '2023'
...
---
_id: '12911'
abstract:
- lang: eng
  text: 'This paper establishes new connections between many-body quantum systems,
    One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport
    (OT), by interpreting the problem of computing the ground-state energy of a finite-dimensional
    composite quantum system at positive temperature as a non-commutative entropy
    regularized Optimal Transport problem. We develop a new approach to fully characterize
    the dual-primal solutions in such non-commutative setting. The mathematical formalism
    is particularly relevant in quantum chemistry: numerical realizations of the many-electron
    ground-state energy can be computed via a non-commutative version of Sinkhorn
    algorithm. Our approach allows to prove convergence and robustness of this algorithm,
    which, to our best knowledge, were unknown even in the two marginal case. Our
    methods are based on a priori estimates in the dual problem, which we believe
    to be of independent interest. Finally, the above results are extended in 1RDMFT
    setting, where bosonic or fermionic symmetry conditions are enforced on the problem.'
acknowledgement: "This work started when A.G. was visiting the Erwin Schrödinger Institute
  and then continued when D.F. and L.P visited the Theoretical Chemistry Department
  of the Vrije Universiteit Amsterdam. The authors thank the hospitality of both places
  and, especially, P. Gori-Giorgi and K. Giesbertz for fruitful discussions and literature
  suggestions in the early state of the project. The authors also thank J. Maas and
  R. Seiringer for their feedback and useful comments to a first draft of the article.
  Finally, we acknowledge the high quality review done by the anonymous referee of
  our paper, who we would like to thank for the excellent work and constructive feedback.\r\nD.F
  acknowledges support by the European Research Council (ERC) under the European Union's
  Horizon 2020 research and innovation programme (grant agreements No 716117 and No
  694227). A.G. acknowledges funding by the HORIZON EUROPE European Research Council
  under H2020/MSCA-IF “OTmeetsDFT” [grant ID: 795942] as well as partial support of
  his research by the Canada Research Chairs Program (ID 2021-00234) and Natural Sciences
  and Engineering Research Council of Canada, RGPIN-2022-05207. L.P. acknowledges
  support by the Austrian Science Fund (FWF), grants No W1245 and No F65, and by the
  Deutsche Forschungsgemeinschaft (DFG) - Project number 390685813."
article_number: '109963'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Dario
  full_name: Feliciangeli, Dario
  id: 41A639AA-F248-11E8-B48F-1D18A9856A87
  last_name: Feliciangeli
  orcid: 0000-0003-0754-8530
- first_name: Augusto
  full_name: Gerolin, Augusto
  last_name: Gerolin
- first_name: Lorenzo
  full_name: Portinale, Lorenzo
  id: 30AD2CBC-F248-11E8-B48F-1D18A9856A87
  last_name: Portinale
citation:
  ama: Feliciangeli D, Gerolin A, Portinale L. A non-commutative entropic optimal
    transport approach to quantum composite systems at positive temperature. <i>Journal
    of Functional Analysis</i>. 2023;285(4). doi:<a href="https://doi.org/10.1016/j.jfa.2023.109963">10.1016/j.jfa.2023.109963</a>
  apa: Feliciangeli, D., Gerolin, A., &#38; Portinale, L. (2023). A non-commutative
    entropic optimal transport approach to quantum composite systems at positive temperature.
    <i>Journal of Functional Analysis</i>. Elsevier. <a href="https://doi.org/10.1016/j.jfa.2023.109963">https://doi.org/10.1016/j.jfa.2023.109963</a>
  chicago: Feliciangeli, Dario, Augusto Gerolin, and Lorenzo Portinale. “A Non-Commutative
    Entropic Optimal Transport Approach to Quantum Composite Systems at Positive Temperature.”
    <i>Journal of Functional Analysis</i>. Elsevier, 2023. <a href="https://doi.org/10.1016/j.jfa.2023.109963">https://doi.org/10.1016/j.jfa.2023.109963</a>.
  ieee: D. Feliciangeli, A. Gerolin, and L. Portinale, “A non-commutative entropic
    optimal transport approach to quantum composite systems at positive temperature,”
    <i>Journal of Functional Analysis</i>, vol. 285, no. 4. Elsevier, 2023.
  ista: Feliciangeli D, Gerolin A, Portinale L. 2023. A non-commutative entropic optimal
    transport approach to quantum composite systems at positive temperature. Journal
    of Functional Analysis. 285(4), 109963.
  mla: Feliciangeli, Dario, et al. “A Non-Commutative Entropic Optimal Transport Approach
    to Quantum Composite Systems at Positive Temperature.” <i>Journal of Functional
    Analysis</i>, vol. 285, no. 4, 109963, Elsevier, 2023, doi:<a href="https://doi.org/10.1016/j.jfa.2023.109963">10.1016/j.jfa.2023.109963</a>.
  short: D. Feliciangeli, A. Gerolin, L. Portinale, Journal of Functional Analysis
    285 (2023).
date_created: 2023-05-07T22:01:02Z
date_published: 2023-08-15T00:00:00Z
date_updated: 2025-04-15T08:31:52Z
day: '15'
department:
- _id: RoSe
- _id: JaMa
doi: 10.1016/j.jfa.2023.109963
ec_funded: 1
external_id:
  arxiv:
  - '2106.11217'
  isi:
  - '000990804300001'
intvolume: '       285'
isi: 1
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2106.11217
month: '08'
oa: 1
oa_version: Preprint
project:
- _id: 256E75B8-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '716117'
  name: Optimal Transport and Stochastic Dynamics
- _id: 25C6DC12-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '694227'
  name: Analysis of quantum many-body systems
- _id: 260482E2-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: F06504
  name: Taming Complexity in Partial Differential Systems
publication: Journal of Functional Analysis
publication_identifier:
  eissn:
  - 1096-0783
  issn:
  - 0022-1236
publication_status: published
publisher: Elsevier
quality_controlled: '1'
related_material:
  record:
  - id: '9792'
    relation: earlier_version
    status: public
scopus_import: '1'
status: public
title: A non-commutative entropic optimal transport approach to quantum composite
  systems at positive temperature
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 285
year: '2023'
...
---
_id: '12912'
abstract:
- lang: eng
  text: The chemical potential of adsorbed or confined fluids provides insight into
    their unique thermodynamic properties and determines adsorption isotherms. However,
    it is often difficult to compute this quantity from atomistic simulations using
    existing statistical mechanical methods. We introduce a computational framework
    that utilizes static structure factors, thermodynamic integration, and free energy
    perturbation for calculating the absolute chemical potential of fluids. For demonstration,
    we apply the method to compute the adsorption isotherms of carbon dioxide in a
    metal-organic framework and water in carbon nanotubes.
acknowledgement: We thank Aleks Reinhardt and Daan Frenkel for their insightful comments
  and suggestions on the article. B.C. acknowledges the resources provided by the
  Cambridge Tier-2 system operated by the University of Cambridge Research Computing
  Service funded by EPSRC Tier-2 capital Grant No. EP/P020259/1.
article_number: '161101 '
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Rochus
  full_name: Schmid, Rochus
  last_name: Schmid
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Schmid R, Cheng B. Computing chemical potentials of adsorbed or confined fluids.
    <i>The Journal of Chemical Physics</i>. 2023;158(16). doi:<a href="https://doi.org/10.1063/5.0146711">10.1063/5.0146711</a>
  apa: Schmid, R., &#38; Cheng, B. (2023). Computing chemical potentials of adsorbed
    or confined fluids. <i>The Journal of Chemical Physics</i>. AIP Publishing. <a
    href="https://doi.org/10.1063/5.0146711">https://doi.org/10.1063/5.0146711</a>
  chicago: Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed
    or Confined Fluids.” <i>The Journal of Chemical Physics</i>. AIP Publishing, 2023.
    <a href="https://doi.org/10.1063/5.0146711">https://doi.org/10.1063/5.0146711</a>.
  ieee: R. Schmid and B. Cheng, “Computing chemical potentials of adsorbed or confined
    fluids,” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16. AIP Publishing,
    2023.
  ista: Schmid R, Cheng B. 2023. Computing chemical potentials of adsorbed or confined
    fluids. The Journal of Chemical Physics. 158(16), 161101.
  mla: Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed
    or Confined Fluids.” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16,
    161101, AIP Publishing, 2023, doi:<a href="https://doi.org/10.1063/5.0146711">10.1063/5.0146711</a>.
  short: R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023).
corr_author: '1'
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-24T00:00:00Z
date_updated: 2024-10-09T21:05:04Z
day: '24'
ddc:
- '540'
department:
- _id: BiCh
doi: 10.1063/5.0146711
external_id:
  arxiv:
  - '2302.01297'
  isi:
  - '001010676000010'
  pmid:
  - '37093149'
file:
- access_level: open_access
  checksum: 4ab8c965f2fa4e17920bfa846847f137
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-08T07:44:49Z
  date_updated: 2023-05-08T07:44:49Z
  file_id: '12918'
  file_name: 2023_JourChemicalPhysics_Schmid.pdf
  file_size: 6499468
  relation: main_file
  success: 1
file_date_updated: 2023-05-08T07:44:49Z
has_accepted_license: '1'
intvolume: '       158'
isi: 1
issue: '16'
language:
- iso: eng
license: https://creativecommons.org/licenses/by/4.0/
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
publication: The Journal of Chemical Physics
publication_identifier:
  eissn:
  - 1089-7690
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/BingqingCheng/mu-adsorption
  - relation: software
    url: https://github.com/BingqingCheng/S0
scopus_import: '1'
status: public
title: Computing chemical potentials of adsorbed or confined fluids
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 158
year: '2023'
...
---
_id: '12913'
abstract:
- lang: eng
  text: The coexistence of gate-tunable superconducting, magnetic and topological
    orders in magic-angle twisted bilayer graphene provides opportunities for the
    creation of hybrid Josephson junctions. Here we report the fabrication of gate-defined
    symmetry-broken Josephson junctions in magic-angle twisted bilayer graphene, where
    the weak link is gate-tuned close to the correlated insulator state with a moiré
    filling factor of υ = −2. We observe a phase-shifted and asymmetric Fraunhofer
    pattern with a pronounced magnetic hysteresis. Our theoretical calculations of
    the junction weak link—with valley polarization and orbital magnetization—explain
    most of these unconventional features. The effects persist up to the critical
    temperature of 3.5 K, with magnetic hysteresis observed below 800 mK. We show
    how the combination of magnetization and its current-induced magnetization switching
    allows us to realise a programmable zero-field superconducting diode. Our results
    represent a major advance towards the creation of future superconducting quantum
    electronic devices.
acknowledgement: We are grateful for the fruitful discussions with Allan MacDonald
  and Andrei Bernevig. D.K.E. acknowledges support from the Ministry of Economy and
  Competitiveness of Spain through the “Severo Ochoa” program for Centers of Excellence
  in R&D (SE5-0522), Fundació Privada Cellex, Fundació Privada Mir-Puig, the Generalitat
  de Catalunya through the CERCA program, funding from the European Research Council
  (ERC) under the European Union’s Horizon 2020 research and innovation program (grant
  agreement no. 852927)” and the La Caixa Foundation. K.T.L. acknowledges the support
  of the Ministry of Science and Technology of China and the HKRGC through grants
  MOST20SC04, C6025-19G, 16310219, 16309718, and 16310520. J.D.M. acknowledges support
  from the INPhINIT ‘la Caixa’ Foundation (ID 100010434) fellowship program (LCF/BQ/DI19/11730021).
  Y.M.X. acknowledges the support of HKRGC through Grant No. PDFS2223-6S01.
article_number: '2396'
article_processing_charge: No
article_type: original
author:
- first_name: J.
  full_name: Díez-Mérida, J.
  last_name: Díez-Mérida
- first_name: A.
  full_name: Díez-Carlón, A.
  last_name: Díez-Carlón
- first_name: S. Y.
  full_name: Yang, S. Y.
  last_name: Yang
- first_name: Y. M.
  full_name: Xie, Y. M.
  last_name: Xie
- first_name: X. J.
  full_name: Gao, X. J.
  last_name: Gao
- first_name: Jorden L
  full_name: Senior, Jorden L
  id: 5479D234-2D30-11EA-89CC-40953DDC885E
  last_name: Senior
- first_name: K.
  full_name: Watanabe, K.
  last_name: Watanabe
- first_name: T.
  full_name: Taniguchi, T.
  last_name: Taniguchi
- first_name: X.
  full_name: Lu, X.
  last_name: Lu
- first_name: Andrew P
  full_name: Higginbotham, Andrew P
  id: 4AD6785A-F248-11E8-B48F-1D18A9856A87
  last_name: Higginbotham
  orcid: 0000-0003-2607-2363
- first_name: K. T.
  full_name: Law, K. T.
  last_name: Law
- first_name: Dmitri K.
  full_name: Efetov, Dmitri K.
  last_name: Efetov
citation:
  ama: Díez-Mérida J, Díez-Carlón A, Yang SY, et al. Symmetry-broken Josephson junctions
    and superconducting diodes in magic-angle twisted bilayer graphene. <i>Nature
    Communications</i>. 2023;14. doi:<a href="https://doi.org/10.1038/s41467-023-38005-7">10.1038/s41467-023-38005-7</a>
  apa: Díez-Mérida, J., Díez-Carlón, A., Yang, S. Y., Xie, Y. M., Gao, X. J., Senior,
    J. L., … Efetov, D. K. (2023). Symmetry-broken Josephson junctions and superconducting
    diodes in magic-angle twisted bilayer graphene. <i>Nature Communications</i>.
    Springer Nature. <a href="https://doi.org/10.1038/s41467-023-38005-7">https://doi.org/10.1038/s41467-023-38005-7</a>
  chicago: Díez-Mérida, J., A. Díez-Carlón, S. Y. Yang, Y. M. Xie, X. J. Gao, Jorden
    L Senior, K. Watanabe, et al. “Symmetry-Broken Josephson Junctions and Superconducting
    Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>.
    Springer Nature, 2023. <a href="https://doi.org/10.1038/s41467-023-38005-7">https://doi.org/10.1038/s41467-023-38005-7</a>.
  ieee: J. Díez-Mérida <i>et al.</i>, “Symmetry-broken Josephson junctions and superconducting
    diodes in magic-angle twisted bilayer graphene,” <i>Nature Communications</i>,
    vol. 14. Springer Nature, 2023.
  ista: Díez-Mérida J, Díez-Carlón A, Yang SY, Xie YM, Gao XJ, Senior JL, Watanabe
    K, Taniguchi T, Lu X, Higginbotham AP, Law KT, Efetov DK. 2023. Symmetry-broken
    Josephson junctions and superconducting diodes in magic-angle twisted bilayer
    graphene. Nature Communications. 14, 2396.
  mla: Díez-Mérida, J., et al. “Symmetry-Broken Josephson Junctions and Superconducting
    Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>,
    vol. 14, 2396, Springer Nature, 2023, doi:<a href="https://doi.org/10.1038/s41467-023-38005-7">10.1038/s41467-023-38005-7</a>.
  short: J. Díez-Mérida, A. Díez-Carlón, S.Y. Yang, Y.M. Xie, X.J. Gao, J.L. Senior,
    K. Watanabe, T. Taniguchi, X. Lu, A.P. Higginbotham, K.T. Law, D.K. Efetov, Nature
    Communications 14 (2023).
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-26T00:00:00Z
date_updated: 2023-08-01T14:34:00Z
day: '26'
ddc:
- '530'
department:
- _id: AnHi
doi: 10.1038/s41467-023-38005-7
external_id:
  isi:
  - '000979744000004'
  pmid:
  - '37100775'
file:
- access_level: open_access
  checksum: a778105665c10beb2354c92d2b295115
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-08T07:26:40Z
  date_updated: 2023-05-08T07:26:40Z
  file_id: '12917'
  file_name: 2023_NatureComm_DiezMerida.pdf
  file_size: 1405588
  relation: main_file
  success: 1
file_date_updated: 2023-05-08T07:26:40Z
has_accepted_license: '1'
intvolume: '        14'
isi: 1
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Symmetry-broken Josephson junctions and superconducting diodes in magic-angle
  twisted bilayer graphene
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 14
year: '2023'
...
---
_id: '12914'
abstract:
- lang: eng
  text: We numerically study two methods of measuring tunneling times using a quantum
    clock. In the conventional method using the Larmor clock, we show that the Larmor
    tunneling time can be shorter for higher tunneling barriers. In the second method,
    we study the probability of a spin-flip of a particle when it is transmitted through
    a potential barrier including a spatially rotating field interacting with its
    spin. According to the adiabatic theorem, the probability depends on the velocity
    of the particle inside the barrier. It is numerically observed that the probability
    increases for higher barriers, which is consistent with the result obtained by
    the Larmor clock. By comparing outcomes for different initial spin states, we
    suggest that one of the main causes of the apparent decrease in the tunneling
    time can be the filtering effect occurring at the end of the barrier.
acknowledgement: We thank W. H. Zurek, N. Sinitsyn, M. O. Scully, M. Arndt, and C.
  H. Marrows for helpful discussions. F.S. acknowledges support from the Los Alamos
  National Laboratory LDRD program under Project No. 20230049DR and the Center for
  Nonlinear Studies. F.S. also thanks the European Union’s Horizon 2020 research and
  innovation program under the Marie Skłodowska-Curie Grant No. 754411 for support.
  W.G.U. thanks the Natural Science and Engineering Research Council of Canada, the
  Hagler Institute of Texas A&M University, the Helmholz Inst HZDR, Germany for support
  while this work was being done.
article_number: '042216'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Fumika
  full_name: Suzuki, Fumika
  id: 650C99FC-1079-11EA-A3C0-73AE3DDC885E
  last_name: Suzuki
  orcid: 0000-0003-4982-5970
- first_name: William G.
  full_name: Unruh, William G.
  last_name: Unruh
citation:
  ama: Suzuki F, Unruh WG. Numerical quantum clock simulations for measuring tunneling
    times. <i>Physical Review A</i>. 2023;107(4). doi:<a href="https://doi.org/10.1103/PhysRevA.107.042216">10.1103/PhysRevA.107.042216</a>
  apa: Suzuki, F., &#38; Unruh, W. G. (2023). Numerical quantum clock simulations
    for measuring tunneling times. <i>Physical Review A</i>. American Physical Society.
    <a href="https://doi.org/10.1103/PhysRevA.107.042216">https://doi.org/10.1103/PhysRevA.107.042216</a>
  chicago: Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations
    for Measuring Tunneling Times.” <i>Physical Review A</i>. American Physical Society,
    2023. <a href="https://doi.org/10.1103/PhysRevA.107.042216">https://doi.org/10.1103/PhysRevA.107.042216</a>.
  ieee: F. Suzuki and W. G. Unruh, “Numerical quantum clock simulations for measuring
    tunneling times,” <i>Physical Review A</i>, vol. 107, no. 4. American Physical
    Society, 2023.
  ista: Suzuki F, Unruh WG. 2023. Numerical quantum clock simulations for measuring
    tunneling times. Physical Review A. 107(4), 042216.
  mla: Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations
    for Measuring Tunneling Times.” <i>Physical Review A</i>, vol. 107, no. 4, 042216,
    American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevA.107.042216">10.1103/PhysRevA.107.042216</a>.
  short: F. Suzuki, W.G. Unruh, Physical Review A 107 (2023).
corr_author: '1'
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-20T00:00:00Z
date_updated: 2025-04-14T07:44:01Z
day: '20'
department:
- _id: MiLe
doi: 10.1103/PhysRevA.107.042216
ec_funded: 1
external_id:
  arxiv:
  - '2207.13130'
  isi:
  - '000975799300006'
intvolume: '       107'
isi: 1
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2207.13130
month: '04'
oa: 1
oa_version: Preprint
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
publication: Physical Review A
publication_identifier:
  eissn:
  - 2469-9934
  issn:
  - 2469-9926
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Numerical quantum clock simulations for measuring tunneling times
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
OA_place: repository
OA_type: green
_id: '12915'
abstract:
- lang: eng
  text: Cu2–xS and Cu2–xSe have recently been reported as promising thermoelectric
    (TE) materials for medium-temperature applications. In contrast, Cu2–xTe, another
    member of the copper chalcogenide family, typically exhibits low Seebeck coefficients
    that limit its potential to achieve a superior thermoelectric figure of merit,
    zT, particularly in the low-temperature range where this material could be effective.
    To address this, we investigated the TE performance of Cu1.5–xTe–Cu2Se nanocomposites
    by consolidating surface-engineered Cu1.5Te nanocrystals. This surface engineering
    strategy allows for precise adjustment of Cu/Te ratios and results in a reversible
    phase transition at around 600 K in Cu1.5–xTe–Cu2Se nanocomposites, as systematically
    confirmed by in situ high-temperature X-ray diffraction combined with differential
    scanning calorimetry analysis. The phase transition leads to a conversion from
    metallic-like to semiconducting-like TE properties. Additionally, a layer of Cu2Se
    generated around Cu1.5–xTe nanoparticles effectively inhibits Cu1.5–xTe grain
    growth, minimizing thermal conductivity and decreasing hole concentration. These
    properties indicate that copper telluride based compounds have a promising thermoelectric
    potential, translated into a high dimensionless zT of 1.3 at 560 K.
acknowledgement: 'The authors acknowledge support from the projects ENE2016-77798-C4-3-R
  and NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/and
  by “ERDF A way of making Europe”, and by the “European Union”. K.X. and B.N. thank
  the China Scholarship Council (CSC) for scholarship support. The authors acknowledge
  funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246. ICN2 is supported
  by the Severo Ochoa program from the Spanish MCIN/AEI (Grant No.: CEX2021-001214-S).
  IREC and ICN2 are funded by the CERCA Programme/Generalitat de Catalunya. J.L. acknowledges
  support from the Natural Science Foundation of Sichuan province (2022NSFSC1229).
  Part of the present work was performed in the frameworks of Universitat de Barcelona
  Nanoscience Ph.D. program and Universitat Autònoma de Barcelona Materials Science
  Ph.D. program. Y.L. acknowledges funding from the National Natural Science Foundation
  of China (Grant No. 22209034) and the Innovation and Entrepreneurship Project of
  Overseas Returnees in Anhui Province (Grants No. 2022LCX002). K.H.L. acknowledges
  the financial support of the National Natural Science Foundation of China (Grant
  No. 22208293).'
article_processing_charge: No
article_type: original
author:
- first_name: Congcong
  full_name: Xing, Congcong
  last_name: Xing
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Xu
  full_name: Han, Xu
  last_name: Han
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Bingfei
  full_name: Nan, Bingfei
  last_name: 'Nan'
- first_name: Maria Garcia
  full_name: Ramon, Maria Garcia
  id: 1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9
  last_name: Ramon
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Bed
  full_name: Poudel, Bed
  last_name: Poudel
- first_name: Amin
  full_name: Nozariasbmarz, Amin
  last_name: Nozariasbmarz
- first_name: Wenjie
  full_name: Li, Wenjie
  last_name: Li
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Xing C, Zhang Y, Xiao K, et al. Thermoelectric performance of surface-engineered
    Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. 2023;17(9):8442-8452. doi:<a
    href="https://doi.org/10.1021/acsnano.3c00495">10.1021/acsnano.3c00495</a>
  apa: Xing, C., Zhang, Y., Xiao, K., Han, X., Liu, Y., Nan, B., … Cabot, A. (2023).
    Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites.
    <i>ACS Nano</i>. American Chemical Society. <a href="https://doi.org/10.1021/acsnano.3c00495">https://doi.org/10.1021/acsnano.3c00495</a>
  chicago: Xing, Congcong, Yu Zhang, Ke Xiao, Xu Han, Yu Liu, Bingfei Nan, Maria Garcia
    Ramon, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se
    Nanocomposites.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href="https://doi.org/10.1021/acsnano.3c00495">https://doi.org/10.1021/acsnano.3c00495</a>.
  ieee: C. Xing <i>et al.</i>, “Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se
    nanocomposites,” <i>ACS Nano</i>, vol. 17, no. 9. American Chemical Society, pp.
    8442–8452, 2023.
  ista: Xing C, Zhang Y, Xiao K, Han X, Liu Y, Nan B, Ramon MG, Lim KH, Li J, Arbiol
    J, Poudel B, Nozariasbmarz A, Li W, Ibáñez M, Cabot A. 2023. Thermoelectric performance
    of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 17(9), 8442–8452.
  mla: Xing, Congcong, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se
    Nanocomposites.” <i>ACS Nano</i>, vol. 17, no. 9, American Chemical Society, 2023,
    pp. 8442–52, doi:<a href="https://doi.org/10.1021/acsnano.3c00495">10.1021/acsnano.3c00495</a>.
  short: C. Xing, Y. Zhang, K. Xiao, X. Han, Y. Liu, B. Nan, M.G. Ramon, K.H. Lim,
    J. Li, J. Arbiol, B. Poudel, A. Nozariasbmarz, W. Li, M. Ibáñez, A. Cabot, ACS
    Nano 17 (2023) 8442–8452.
corr_author: '1'
date_created: 2023-05-07T22:01:04Z
date_published: 2023-05-09T00:00:00Z
date_updated: 2025-06-25T06:01:54Z
day: '09'
department:
- _id: MaIb
doi: 10.1021/acsnano.3c00495
external_id:
  isi:
  - '000976063200001'
  pmid:
  - '37071412'
intvolume: '        17'
isi: 1
issue: '9'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://ddd.uab.cat/pub/artpub/2023/zlnqprw07rek/acsnan_a2023_Pre.pdf
month: '05'
oa: 1
oa_version: Submitted Version
page: 8442-8452
pmid: 1
publication: ACS Nano
publication_identifier:
  eissn:
  - 1936-086X
  issn:
  - 1936-0851
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 17
year: '2023'
...
---
_id: '12916'
abstract:
- lang: eng
  text: "We apply a variant of the square-sieve to produce an upper bound for the
    number of rational points of bounded height on a family of surfaces that admit
    a fibration over P1 whose general fibre is a hyperelliptic curve. The implied
    constant does not depend on the coefficients of the polynomial defining the surface.\r\n"
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Dante
  full_name: Bonolis, Dante
  id: 6A459894-5FDD-11E9-AF35-BB24E6697425
  last_name: Bonolis
- first_name: Timothy D
  full_name: Browning, Timothy D
  id: 35827D50-F248-11E8-B48F-1D18A9856A87
  last_name: Browning
  orcid: 0000-0002-8314-0177
citation:
  ama: Bonolis D, Browning TD. Uniform bounds for rational points on hyperelliptic
    fibrations. <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>.
    2023;24(1):173-204. doi:<a href="https://doi.org/10.2422/2036-2145.202010_018">10.2422/2036-2145.202010_018</a>
  apa: Bonolis, D., &#38; Browning, T. D. (2023). Uniform bounds for rational points
    on hyperelliptic fibrations. <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale. <a
    href="https://doi.org/10.2422/2036-2145.202010_018">https://doi.org/10.2422/2036-2145.202010_018</a>
  chicago: Bonolis, Dante, and Timothy D Browning. “Uniform Bounds for Rational Points
    on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale, 2023.
    <a href="https://doi.org/10.2422/2036-2145.202010_018">https://doi.org/10.2422/2036-2145.202010_018</a>.
  ieee: D. Bonolis and T. D. Browning, “Uniform bounds for rational points on hyperelliptic
    fibrations,” <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>,
    vol. 24, no. 1. Scuola Normale Superiore - Edizioni della Normale, pp. 173–204,
    2023.
  ista: Bonolis D, Browning TD. 2023. Uniform bounds for rational points on hyperelliptic
    fibrations. Annali della Scuola Normale Superiore di Pisa - Classe di Scienze.
    24(1), 173–204.
  mla: Bonolis, Dante, and Timothy D. Browning. “Uniform Bounds for Rational Points
    on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>, vol. 24, no. 1, Scuola Normale Superiore - Edizioni della
    Normale, 2023, pp. 173–204, doi:<a href="https://doi.org/10.2422/2036-2145.202010_018">10.2422/2036-2145.202010_018</a>.
  short: D. Bonolis, T.D. Browning, Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze 24 (2023) 173–204.
corr_author: '1'
date_created: 2023-05-07T22:01:04Z
date_published: 2023-02-16T00:00:00Z
date_updated: 2024-10-09T21:05:05Z
day: '16'
department:
- _id: TiBr
doi: 10.2422/2036-2145.202010_018
external_id:
  arxiv:
  - '2007.14182'
intvolume: '        24'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2007.14182
month: '02'
oa: 1
oa_version: Preprint
page: 173-204
publication: Annali della Scuola Normale Superiore di Pisa - Classe di Scienze
publication_identifier:
  eissn:
  - 2036-2145
  issn:
  - 0391-173X
publication_status: published
publisher: Scuola Normale Superiore - Edizioni della Normale
quality_controlled: '1'
scopus_import: '1'
status: public
title: Uniform bounds for rational points on hyperelliptic fibrations
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 24
year: '2023'
...
---
_id: '12919'
abstract:
- lang: eng
  text: We report the visible light photocatalytic cleavage of trityl thioethers or
    ethers under pH-neutral conditions. The method results in the formation of the
    respective symmetrical disulfides and alcohols in moderate to excellent yield.
    The protocol only requires the addition of a suitable photocatalyst and light
    rendering it orthogonal to several functionalities, including acid labile protective
    groups. The same conditions can be used to directly convert trityl-protected thiols
    into unsymmetrical disulfides or selenosulfides, and to cleave trityl resins in
    solid phase organic synthesis.
article_processing_charge: No
article_type: original
author:
- first_name: Sho
  full_name: Murakami, Sho
  last_name: Murakami
- first_name: Cosima
  full_name: Brudy, Cosima
  last_name: Brudy
- first_name: Moritz
  full_name: Bachmann, Moritz
  last_name: Bachmann
- first_name: Yoshiji
  full_name: Takemoto, Yoshiji
  last_name: Takemoto
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
citation:
  ama: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. Photocatalytic cleavage
    of trityl protected thiols and alcohols. <i>Synthesis</i>. 2023;55(09):1367-1374.
    doi:<a href="https://doi.org/10.1055/a-1979-5933">10.1055/a-1979-5933</a>
  apa: Murakami, S., Brudy, C., Bachmann, M., Takemoto, Y., &#38; Pieber, B. (2023).
    Photocatalytic cleavage of trityl protected thiols and alcohols. <i>Synthesis</i>.
    Georg Thieme Verlag. <a href="https://doi.org/10.1055/a-1979-5933">https://doi.org/10.1055/a-1979-5933</a>
  chicago: Murakami, Sho, Cosima Brudy, Moritz Bachmann, Yoshiji Takemoto, and Bartholomäus
    Pieber. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” <i>Synthesis</i>.
    Georg Thieme Verlag, 2023. <a href="https://doi.org/10.1055/a-1979-5933">https://doi.org/10.1055/a-1979-5933</a>.
  ieee: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, and B. Pieber, “Photocatalytic
    cleavage of trityl protected thiols and alcohols,” <i>Synthesis</i>, vol. 55,
    no. 09. Georg Thieme Verlag, pp. 1367–1374, 2023.
  ista: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. 2023. Photocatalytic
    cleavage of trityl protected thiols and alcohols. Synthesis. 55(09), 1367–1374.
  mla: Murakami, Sho, et al. “Photocatalytic Cleavage of Trityl Protected Thiols and
    Alcohols.” <i>Synthesis</i>, vol. 55, no. 09, Georg Thieme Verlag, 2023, pp. 1367–74,
    doi:<a href="https://doi.org/10.1055/a-1979-5933">10.1055/a-1979-5933</a>.
  short: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, B. Pieber, Synthesis 55
    (2023) 1367–1374.
date_created: 2023-05-08T08:25:08Z
date_published: 2023-05-01T00:00:00Z
date_updated: 2024-10-14T12:08:22Z
day: '01'
doi: 10.1055/a-1979-5933
extern: '1'
intvolume: '        55'
issue: '09'
keyword:
- Organic Chemistry
- Catalysis
language:
- iso: eng
month: '05'
oa_version: None
page: 1367-1374
publication: Synthesis
publication_identifier:
  eissn:
  - 1437-210X
  issn:
  - 0039-7881
publication_status: published
publisher: Georg Thieme Verlag
quality_controlled: '1'
scopus_import: '1'
status: public
title: Photocatalytic cleavage of trityl protected thiols and alcohols
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 55
year: '2023'
...
---
_id: '12920'
abstract:
- lang: eng
  text: The multicomponent approach allows to incorporate several functionalities
    into a single covalent organic framework (COF) and consequently allows the construction
    of bifunctional materials for cooperative catalysis. The well-defined structure
    of such multicomponent COFs is furthermore ideally suited for structure-activity
    relationship studies. We report a series of multicomponent COFs that contain acridine-
    and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives.
    The acridine motif is responsible for broad light absorption, while the bipyridine
    unit enables complexation of nickel catalysts. These features enable the usage
    of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings.
    Variation of the node units shows that the catalytic activity correlates to the
    keto-enamine tautomer isomerism. This allows switching between high charge-carrier
    mobility and persistent, localized charge-separated species depending on the nodes,
    a tool to tailor the materials for specific reactions. Moreover, nickel-loaded
    COFs are recyclable and catalyze cross-couplings even using red light irradiation.
article_number: e202202967
article_processing_charge: No
article_type: original
author:
- first_name: Michael
  full_name: Traxler, Michael
  last_name: Traxler
- first_name: Susanne
  full_name: Reischauer, Susanne
  last_name: Reischauer
- first_name: Sarah
  full_name: Vogl, Sarah
  last_name: Vogl
- first_name: Jérôme
  full_name: Roeser, Jérôme
  last_name: Roeser
- first_name: Jabor
  full_name: Rabeah, Jabor
  last_name: Rabeah
- first_name: Christopher
  full_name: Penschke, Christopher
  last_name: Penschke
- first_name: Peter
  full_name: Saalfrank, Peter
  last_name: Saalfrank
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
- first_name: Arne
  full_name: Thomas, Arne
  last_name: Thomas
citation:
  ama: Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity
    of multicomponent covalent organic frameworks used as metallaphotocatalysts. <i>Chemistry
    – A European Journal</i>. 2023;29(4). doi:<a href="https://doi.org/10.1002/chem.202202967">10.1002/chem.202202967</a>
  apa: Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C.,
    … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent
    organic frameworks used as metallaphotocatalysts. <i>Chemistry – A European Journal</i>.
    Wiley. <a href="https://doi.org/10.1002/chem.202202967">https://doi.org/10.1002/chem.202202967</a>
  chicago: Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor
    Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas.
    “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks
    Used as Metallaphotocatalysts.” <i>Chemistry – A European Journal</i>. Wiley,
    2023. <a href="https://doi.org/10.1002/chem.202202967">https://doi.org/10.1002/chem.202202967</a>.
  ieee: M. Traxler <i>et al.</i>, “Programmable photocatalytic activity of multicomponent
    covalent organic frameworks used as metallaphotocatalysts,” <i>Chemistry – A European
    Journal</i>, vol. 29, no. 4. Wiley, 2023.
  ista: Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank
    P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent
    covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European
    Journal. 29(4), e202202967.
  mla: Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent
    Covalent Organic Frameworks Used as Metallaphotocatalysts.” <i>Chemistry – A European
    Journal</i>, vol. 29, no. 4, e202202967, Wiley, 2023, doi:<a href="https://doi.org/10.1002/chem.202202967">10.1002/chem.202202967</a>.
  short: M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P.
    Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023).
date_created: 2023-05-08T08:25:34Z
date_published: 2023-01-18T00:00:00Z
date_updated: 2024-10-14T12:08:10Z
day: '18'
doi: 10.1002/chem.202202967
extern: '1'
intvolume: '        29'
issue: '4'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1002/chem.202202967
month: '01'
oa: 1
oa_version: Published Version
publication: Chemistry – A European Journal
publication_identifier:
  eissn:
  - 1521-3765
  issn:
  - 0947-6539
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Programmable photocatalytic activity of multicomponent covalent organic frameworks
  used as metallaphotocatalysts
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 29
year: '2023'
...
---
_id: '12921'
abstract:
- lang: eng
  text: Visible-light photocatalysis provides numerous useful methodologies for synthetic
    organic chemistry. However, the mechanisms of these reactions are often not fully
    understood. Common mechanistic experiments mainly aim to characterize excited
    state properties of photocatalysts and their interaction with other species. Recently,
    in situ reaction monitoring using dedicated techniques was shown to be well-suited
    for the identification of intermediates and to obtain kinetic insights, thereby
    providing more holistic pictures of the reactions of interest. This minireview
    surveys these technologies and discusses selected examples where reaction monitoring
    was used to elucidate the mechanism of photocatalytic reactions.
article_number: e202201583
article_processing_charge: No
article_type: original
author:
- first_name: Amiera
  full_name: Madani, Amiera
  last_name: Madani
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
citation:
  ama: Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis.
    <i>ChemCatChem</i>. 2023;15(7). doi:<a href="https://doi.org/10.1002/cctc.202201583">10.1002/cctc.202201583</a>
  apa: Madani, A., &#38; Pieber, B. (2023). In situ reaction monitoring in photocatalytic
    organic synthesis. <i>ChemCatChem</i>. Wiley. <a href="https://doi.org/10.1002/cctc.202201583">https://doi.org/10.1002/cctc.202201583</a>
  chicago: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in
    Photocatalytic Organic Synthesis.” <i>ChemCatChem</i>. Wiley, 2023. <a href="https://doi.org/10.1002/cctc.202201583">https://doi.org/10.1002/cctc.202201583</a>.
  ieee: A. Madani and B. Pieber, “In situ reaction monitoring in photocatalytic organic
    synthesis,” <i>ChemCatChem</i>, vol. 15, no. 7. Wiley, 2023.
  ista: Madani A, Pieber B. 2023. In situ reaction monitoring in photocatalytic organic
    synthesis. ChemCatChem. 15(7), e202201583.
  mla: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic
    Organic Synthesis.” <i>ChemCatChem</i>, vol. 15, no. 7, e202201583, Wiley, 2023,
    doi:<a href="https://doi.org/10.1002/cctc.202201583">10.1002/cctc.202201583</a>.
  short: A. Madani, B. Pieber, ChemCatChem 15 (2023).
date_created: 2023-05-08T08:25:55Z
date_published: 2023-04-06T00:00:00Z
date_updated: 2024-10-14T12:07:59Z
day: '06'
doi: 10.1002/cctc.202201583
extern: '1'
intvolume: '        15'
issue: '7'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1002/cctc.202201583
month: '04'
oa: 1
oa_version: Published Version
publication: ChemCatChem
publication_identifier:
  eissn:
  - 1867-3899
  issn:
  - 1867-3880
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: In situ reaction monitoring in photocatalytic organic synthesis
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 15
year: '2023'
...
---
_id: '12922'
abstract:
- lang: eng
  text: The influence of structural modifications on the catalytic activity of carbon
    materials is poorly understood. A collection of carbonaceous materials with different
    pore networks and high nitrogen content was characterized and used to catalyze
    four reactions to deduce structure–activity relationships. The CO2 cycloaddition
    and Knoevenagel reaction depend on Lewis basic sites (electron-rich nitrogen species).
    The absence of large conjugated carbon domains resulting from the introduction
    of large amounts of nitrogen in the carbon network is responsible for poor redox
    activity, as observed through the catalytic reduction of nitrobenzene with hydrazine
    and the catalytic oxidation of 3,3′,5,5′-tetramethylbenzidine using hydroperoxide.
    The material with the highest activity towards Lewis acid catalysis (in the hydrolysis
    of (dimethoxymethyl)benzene to benzaldehyde) is the most effective for small molecule
    activation and presents the highest concentration of electron-poor nitrogen species.
article_number: e202211663
article_processing_charge: No
article_type: original
author:
- first_name: Enrico
  full_name: Lepre, Enrico
  last_name: Lepre
- first_name: Sylvain
  full_name: Rat, Sylvain
  last_name: Rat
- first_name: Cristian
  full_name: Cavedon, Cristian
  last_name: Cavedon
- first_name: Peter H.
  full_name: Seeberger, Peter H.
  last_name: Seeberger
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
- first_name: Markus
  full_name: Antonietti, Markus
  last_name: Antonietti
- first_name: Nieves
  full_name: López‐Salas, Nieves
  last_name: López‐Salas
citation:
  ama: Lepre E, Rat S, Cavedon C, et al. Catalytic properties of high nitrogen content
    carbonaceous materials. <i>Angewandte Chemie International Edition</i>. 2023;62(2).
    doi:<a href="https://doi.org/10.1002/anie.202211663">10.1002/anie.202211663</a>
  apa: Lepre, E., Rat, S., Cavedon, C., Seeberger, P. H., Pieber, B., Antonietti,
    M., &#38; López‐Salas, N. (2023). Catalytic properties of high nitrogen content
    carbonaceous materials. <i>Angewandte Chemie International Edition</i>. Wiley.
    <a href="https://doi.org/10.1002/anie.202211663">https://doi.org/10.1002/anie.202211663</a>
  chicago: Lepre, Enrico, Sylvain Rat, Cristian Cavedon, Peter H. Seeberger, Bartholomäus
    Pieber, Markus Antonietti, and Nieves López‐Salas. “Catalytic Properties of High
    Nitrogen Content Carbonaceous Materials.” <i>Angewandte Chemie International Edition</i>.
    Wiley, 2023. <a href="https://doi.org/10.1002/anie.202211663">https://doi.org/10.1002/anie.202211663</a>.
  ieee: E. Lepre <i>et al.</i>, “Catalytic properties of high nitrogen content carbonaceous
    materials,” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2. Wiley,
    2023.
  ista: Lepre E, Rat S, Cavedon C, Seeberger PH, Pieber B, Antonietti M, López‐Salas
    N. 2023. Catalytic properties of high nitrogen content carbonaceous materials.
    Angewandte Chemie International Edition. 62(2), e202211663.
  mla: Lepre, Enrico, et al. “Catalytic Properties of High Nitrogen Content Carbonaceous
    Materials.” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2, e202211663,
    Wiley, 2023, doi:<a href="https://doi.org/10.1002/anie.202211663">10.1002/anie.202211663</a>.
  short: E. Lepre, S. Rat, C. Cavedon, P.H. Seeberger, B. Pieber, M. Antonietti, N.
    López‐Salas, Angewandte Chemie International Edition 62 (2023).
date_created: 2023-05-08T08:28:14Z
date_published: 2023-01-09T00:00:00Z
date_updated: 2023-08-21T09:18:12Z
day: '09'
doi: 10.1002/anie.202211663
extern: '1'
intvolume: '        62'
issue: '2'
keyword:
- General Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1002/anie.202211663
month: '01'
oa: 1
oa_version: Published Version
publication: Angewandte Chemie International Edition
publication_identifier:
  eissn:
  - 1521-3773
  issn:
  - 1433-7851
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Catalytic properties of high nitrogen content carbonaceous materials
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 62
year: '2023'
...
---
_id: '12945'
abstract:
- lang: eng
  text: "basic data for use in code for experimental data analysis for manuscript
    under revision: \r\nDynamic pathogen detection and social feedback shape collective
    hygiene in ants\r\nCasillas-Pérez B, Boďová K, Grasse AV, Tkačik G, Cremer S"
acknowledged_ssus:
- _id: LifeSc
acknowledgement: This project has received funding from the European Research Council
  (ERC) under the European Union’s Horizon 2020 research and innovation programme
  (Grant No. 771402; EPIDEMICSonCHIP) to SC, from the Scientific Grant Agency of the
  Slovak Republic (Grant No. 1/0521/20) to KB, and the Human Frontier Science Program
  (Grant No. RGP0065/2012) to GT.
article_processing_charge: No
author:
- first_name: Sylvia
  full_name: Cremer, Sylvia
  id: 2F64EC8C-F248-11E8-B48F-1D18A9856A87
  last_name: Cremer
  orcid: 0000-0002-2193-3868
citation:
  ama: 'Cremer S. Data from: “Dynamic pathogen detection and social feedback shape
    collective hygiene in ants” . 2023. doi:<a href="https://doi.org/10.15479/AT:ISTA:12945">10.15479/AT:ISTA:12945</a>'
  apa: 'Cremer, S. (2023). Data from: “Dynamic pathogen detection and social feedback
    shape collective hygiene in ants” . Institute of Science and Technology Austria.
    <a href="https://doi.org/10.15479/AT:ISTA:12945">https://doi.org/10.15479/AT:ISTA:12945</a>'
  chicago: 'Cremer, Sylvia. “Data from: ‘Dynamic Pathogen Detection and Social Feedback
    Shape Collective Hygiene in Ants’ .” Institute of Science and Technology Austria,
    2023. <a href="https://doi.org/10.15479/AT:ISTA:12945">https://doi.org/10.15479/AT:ISTA:12945</a>.'
  ieee: 'S. Cremer, “Data from: ‘Dynamic pathogen detection and social feedback shape
    collective hygiene in ants’ .” Institute of Science and Technology Austria, 2023.'
  ista: 'Cremer S. 2023. Data from: ‘Dynamic pathogen detection and social feedback
    shape collective hygiene in ants’ , Institute of Science and Technology Austria,
    <a href="https://doi.org/10.15479/AT:ISTA:12945">10.15479/AT:ISTA:12945</a>.'
  mla: 'Cremer, Sylvia. <i>Data from: “Dynamic Pathogen Detection and Social Feedback
    Shape Collective Hygiene in Ants” </i>. Institute of Science and Technology Austria,
    2023, doi:<a href="https://doi.org/10.15479/AT:ISTA:12945">10.15479/AT:ISTA:12945</a>.'
  short: S. Cremer, (2023).
contributor:
- contributor_type: data_collector
  first_name: Barbara E
  id: 351ED2AA-F248-11E8-B48F-1D18A9856A87
  last_name: Casillas Perez
- contributor_type: data_collector
  first_name: Anna V
  id: 406F989C-F248-11E8-B48F-1D18A9856A87
  last_name: Grasse
- contributor_type: researcher
  first_name: Katarina
  last_name: Bodova
- contributor_type: supervisor
  first_name: Gašper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkačik
  orcid: 0000-0002-6699-1455
corr_author: '1'
date_created: 2023-05-11T21:35:17Z
date_published: 2023-05-12T00:00:00Z
date_updated: 2025-04-15T06:44:30Z
day: '12'
ddc:
- '570'
department:
- _id: SyCr
doi: 10.15479/AT:ISTA:12945
file:
- access_level: open_access
  checksum: 3eadf17fd59ad8c98bf10bf63061863c
  content_type: application/zip
  creator: scremer
  date_created: 2023-05-12T08:04:04Z
  date_updated: 2023-05-12T08:04:04Z
  file_id: '12947'
  file_name: Experimental_data.zip
  file_size: 3414674
  relation: main_file
  success: 1
- access_level: open_access
  checksum: 1b5e8e01a0989154a76b44e6d8d68f89
  content_type: application/octet-stream
  creator: scremer
  date_created: 2023-05-12T08:04:08Z
  date_updated: 2023-05-12T08:04:08Z
  file_id: '12948'
  file_name: README_Experimental_Data.md
  file_size: 2113
  relation: main_file
  success: 1
file_date_updated: 2023-05-12T08:04:08Z
has_accepted_license: '1'
keyword:
- collective behavior
- host-pathogen interactions
- social immunity
- epidemiology
- social insects
- probabilistic modeling
month: '05'
oa: 1
oa_version: None
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '13127'
    relation: used_in_publication
    status: public
status: public
title: 'Data from: "Dynamic pathogen detection and social feedback shape collective
  hygiene in ants" '
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '12949'
abstract:
- lang: eng
  text: The classical infinitesimal model is a simple and robust model for the inheritance
    of quantitative traits. In this model, a quantitative trait is expressed as the
    sum of a genetic and a non-genetic (environmental) component and the genetic component
    of offspring traits within a family follows a normal distribution around the average
    of the parents’ trait values, and has a variance that is independent of the trait
    values of the parents. Although the trait distribution across the whole population
    can be far from normal, the trait distributions within families are normally distributed
    with a variance-covariance matrix that is determined entirely by that in  the
    ancestral population and the probabilities of identity determined by the pedigree.
    Moreover, conditioning on some of the trait values within the pedigree has predictable
    effects on the mean and variance within and between families. In previous work,
    Barton et al. (2017), we showed that when trait values are determined by the sum
    of a large number of Mendelian factors, each  of small effect, one can justify
    the infinitesimal model as limit of Mendelian inheritance. It was also shown that
    under some forms of epistasis, trait values within a family are still normally
    distributed.
article_processing_charge: No
author:
- first_name: Nicholas H
  full_name: Barton, Nicholas H
  id: 4880FE40-F248-11E8-B48F-1D18A9856A87
  last_name: Barton
  orcid: 0000-0002-8548-5240
citation:
  ama: Barton NH. The infinitesimal model with dominance. 2023. doi:<a href="https://doi.org/10.15479/AT:ISTA:12949">10.15479/AT:ISTA:12949</a>
  apa: Barton, N. H. (2023). The infinitesimal model with dominance. Institute of
    Science and Technology Austria. <a href="https://doi.org/10.15479/AT:ISTA:12949">https://doi.org/10.15479/AT:ISTA:12949</a>
  chicago: Barton, Nicholas H. “The Infinitesimal Model with Dominance.” Institute
    of Science and Technology Austria, 2023. <a href="https://doi.org/10.15479/AT:ISTA:12949">https://doi.org/10.15479/AT:ISTA:12949</a>.
  ieee: N. H. Barton, “The infinitesimal model with dominance.” Institute of Science
    and Technology Austria, 2023.
  ista: Barton NH. 2023. The infinitesimal model with dominance, Institute of Science
    and Technology Austria, <a href="https://doi.org/10.15479/AT:ISTA:12949">10.15479/AT:ISTA:12949</a>.
  mla: Barton, Nicholas H. <i>The Infinitesimal Model with Dominance</i>. Institute
    of Science and Technology Austria, 2023, doi:<a href="https://doi.org/10.15479/AT:ISTA:12949">10.15479/AT:ISTA:12949</a>.
  short: N.H. Barton, (2023).
contributor:
- contributor_type: researcher
  first_name: Amandine
  last_name: Veber
- contributor_type: researcher
  first_name: Alison
  last_name: Etheridge
corr_author: '1'
date_created: 2023-05-13T09:49:09Z
date_published: 2023-05-13T00:00:00Z
date_updated: 2025-09-09T13:07:07Z
day: '13'
ddc:
- '576'
department:
- _id: NiBa
doi: 10.15479/AT:ISTA:12949
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file_date_updated: 2023-05-16T04:09:08Z
has_accepted_license: '1'
keyword:
- Quantitative genetics
- infinitesimal model
month: '05'
oa: 1
oa_version: Published Version
project:
- _id: bd6958e0-d553-11ed-ba76-86eba6a76c00
  grant_number: '101055327'
  name: Understanding the evolution of continuous genomes
publisher: Institute of Science and Technology Austria
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    relation: used_in_publication
    status: public
status: public
title: The infinitesimal model with dominance
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: research_data
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '12959'
abstract:
- lang: eng
  text: "This paper deals with the large-scale behaviour of dynamical optimal transport
    on Zd\r\n-periodic graphs with general lower semicontinuous and convex energy
    densities. Our main contribution is a homogenisation result that describes the
    effective behaviour of the discrete problems in terms of a continuous optimal
    transport problem. The effective energy density can be explicitly expressed in
    terms of a cell formula, which is a finite-dimensional convex programming problem
    that depends non-trivially on the local geometry of the discrete graph and the
    discrete energy density. Our homogenisation result is derived from a Γ\r\n-convergence
    result for action functionals on curves of measures, which we prove under very
    mild growth conditions on the energy density. We investigate the cell formula
    in several cases of interest, including finite-volume discretisations of the Wasserstein
    distance, where non-trivial limiting behaviour occurs."
acknowledgement: J.M. gratefully acknowledges support by the European Research Council
  (ERC) under the European Union’s Horizon 2020 research and innovation programme
  (Grant Agreement No. 716117). J.M and L.P. also acknowledge support from the Austrian
  Science Fund (FWF), grants No F65 and W1245. E.K. gratefully acknowledges support
  by the German Research Foundation through the Hausdorff Center for Mathematics and
  the Collaborative Research Center 1060. P.G. is partially funded by the Deutsche
  Forschungsgemeinschaft (DFG, German Research Foundation)—350398276. We thank the
  anonymous reviewer for the careful reading and for useful suggestions. Open access
  funding provided by Austrian Science Fund (FWF).
article_number: '143'
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Peter
  full_name: Gladbach, Peter
  last_name: Gladbach
- first_name: Eva
  full_name: Kopfer, Eva
  last_name: Kopfer
- first_name: Jan
  full_name: Maas, Jan
  id: 4C5696CE-F248-11E8-B48F-1D18A9856A87
  last_name: Maas
  orcid: 0000-0002-0845-1338
- first_name: Lorenzo
  full_name: Portinale, Lorenzo
  id: 30AD2CBC-F248-11E8-B48F-1D18A9856A87
  last_name: Portinale
citation:
  ama: Gladbach P, Kopfer E, Maas J, Portinale L. Homogenisation of dynamical optimal
    transport on periodic graphs. <i>Calculus of Variations and Partial Differential
    Equations</i>. 2023;62(5). doi:<a href="https://doi.org/10.1007/s00526-023-02472-z">10.1007/s00526-023-02472-z</a>
  apa: Gladbach, P., Kopfer, E., Maas, J., &#38; Portinale, L. (2023). Homogenisation
    of dynamical optimal transport on periodic graphs. <i>Calculus of Variations and
    Partial Differential Equations</i>. Springer Nature. <a href="https://doi.org/10.1007/s00526-023-02472-z">https://doi.org/10.1007/s00526-023-02472-z</a>
  chicago: Gladbach, Peter, Eva Kopfer, Jan Maas, and Lorenzo Portinale. “Homogenisation
    of Dynamical Optimal Transport on Periodic Graphs.” <i>Calculus of Variations
    and Partial Differential Equations</i>. Springer Nature, 2023. <a href="https://doi.org/10.1007/s00526-023-02472-z">https://doi.org/10.1007/s00526-023-02472-z</a>.
  ieee: P. Gladbach, E. Kopfer, J. Maas, and L. Portinale, “Homogenisation of dynamical
    optimal transport on periodic graphs,” <i>Calculus of Variations and Partial Differential
    Equations</i>, vol. 62, no. 5. Springer Nature, 2023.
  ista: Gladbach P, Kopfer E, Maas J, Portinale L. 2023. Homogenisation of dynamical
    optimal transport on periodic graphs. Calculus of Variations and Partial Differential
    Equations. 62(5), 143.
  mla: Gladbach, Peter, et al. “Homogenisation of Dynamical Optimal Transport on Periodic
    Graphs.” <i>Calculus of Variations and Partial Differential Equations</i>, vol.
    62, no. 5, 143, Springer Nature, 2023, doi:<a href="https://doi.org/10.1007/s00526-023-02472-z">10.1007/s00526-023-02472-z</a>.
  short: P. Gladbach, E. Kopfer, J. Maas, L. Portinale, Calculus of Variations and
    Partial Differential Equations 62 (2023).
corr_author: '1'
date_created: 2023-05-14T22:01:00Z
date_published: 2023-04-28T00:00:00Z
date_updated: 2025-05-15T10:54:12Z
day: '28'
ddc:
- '510'
department:
- _id: JaMa
doi: 10.1007/s00526-023-02472-z
ec_funded: 1
external_id:
  arxiv:
  - '2110.15321'
  isi:
  - '000980588900001'
  pmid:
  - '37131846'
file:
- access_level: open_access
  checksum: 359bee38d94b7e0aa73925063cb8884d
  content_type: application/pdf
  creator: dernst
  date_created: 2023-10-04T11:34:10Z
  date_updated: 2023-10-04T11:34:10Z
  file_id: '14393'
  file_name: 2023_CalculusEquations_Gladbach.pdf
  file_size: 1240995
  relation: main_file
  success: 1
file_date_updated: 2023-10-04T11:34:10Z
has_accepted_license: '1'
intvolume: '        62'
isi: 1
issue: '5'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: 256E75B8-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '716117'
  name: Optimal Transport and Stochastic Dynamics
- _id: fc31cba2-9c52-11eb-aca3-ff467d239cd2
  grant_number: F6504
  name: Taming Complexity in Partial Differential Systems
- _id: 260788DE-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: W1245
  name: Dissipation and dispersion in nonlinear partial differential equations
publication: Calculus of Variations and Partial Differential Equations
publication_identifier:
  eissn:
  - 1432-0835
  issn:
  - 0944-2669
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Homogenisation of dynamical optimal transport on periodic graphs
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: 62
year: '2023'
...
---
_id: '12960'
abstract:
- lang: eng
  text: "Isomanifolds are the generalization of isosurfaces to arbitrary dimension
    and codimension, i.e., submanifolds of Rd defined as the zero set of some multivariate
    multivalued smooth function f:Rd→Rd−n, where n is the intrinsic dimension of the
    manifold. A natural way to approximate a smooth isomanifold M=f−1(0) is to consider
    its piecewise linear (PL) approximation M^\r\n based on a triangulation T of the
    ambient space Rd. In this paper, we describe a simple algorithm to trace isomanifolds
    from a given starting point. The algorithm works for arbitrary dimensions n and
    d, and any precision D. Our main result is that, when f (or M) has bounded complexity,
    the complexity of the algorithm is polynomial in d and δ=1/D (and unavoidably
    exponential in n). Since it is known that for δ=Ω(d2.5), M^ is O(D2)-close and
    isotopic to M\r\n, our algorithm produces a faithful PL-approximation of isomanifolds
    of bounded complexity in time polynomial in d. Combining this algorithm with dimensionality
    reduction techniques, the dependency on d in the size of M^ can be completely
    removed with high probability. We also show that the algorithm can handle isomanifolds
    with boundary and, more generally, isostratifolds. The algorithm for isomanifolds
    with boundary has been implemented and experimental results are reported, showing
    that it is practical and can handle cases that are far ahead of the state-of-the-art. "
acknowledgement: The authors have received funding from the European Research Council
  under the European Union's ERC grant greement 339025 GUDHI (Algorithmic Foundations
  of Geometric Un-derstanding  in  Higher  Dimensions).   The  first  author  was  supported  by  the  French  government,through
  the 3IA C\^ote d'Azur Investments in the Future project managed by the National
  ResearchAgency (ANR) with the reference ANR-19-P3IA-0002.  The third author was
  supported by the Eu-ropean Union's Horizon 2020 research and innovation programme
  under the Marie Sk\lodowska-Curiegrant agreement 754411 and the FWF (Austrian Science
  Fund) grant M 3073.
article_processing_charge: No
article_type: original
author:
- first_name: Jean Daniel
  full_name: Boissonnat, Jean Daniel
  last_name: Boissonnat
- first_name: Siargey
  full_name: Kachanovich, Siargey
  last_name: Kachanovich
- first_name: Mathijs
  full_name: Wintraecken, Mathijs
  id: 307CFBC8-F248-11E8-B48F-1D18A9856A87
  last_name: Wintraecken
  orcid: 0000-0002-7472-2220
citation:
  ama: Boissonnat JD, Kachanovich S, Wintraecken M. Tracing isomanifolds in Rd in
    time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. <i>SIAM Journal
    on Computing</i>. 2023;52(2):452-486. doi:<a href="https://doi.org/10.1137/21M1412918">10.1137/21M1412918</a>
  apa: Boissonnat, J. D., Kachanovich, S., &#38; Wintraecken, M. (2023). Tracing isomanifolds
    in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. <i>SIAM
    Journal on Computing</i>. Society for Industrial and Applied Mathematics. <a href="https://doi.org/10.1137/21M1412918">https://doi.org/10.1137/21M1412918</a>
  chicago: Boissonnat, Jean Daniel, Siargey Kachanovich, and Mathijs Wintraecken.
    “Tracing Isomanifolds in Rd in Time Polynomial in d Using Coxeter–Freudenthal–Kuhn
    Triangulations.” <i>SIAM Journal on Computing</i>. Society for Industrial and
    Applied Mathematics, 2023. <a href="https://doi.org/10.1137/21M1412918">https://doi.org/10.1137/21M1412918</a>.
  ieee: J. D. Boissonnat, S. Kachanovich, and M. Wintraecken, “Tracing isomanifolds
    in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations,”
    <i>SIAM Journal on Computing</i>, vol. 52, no. 2. Society for Industrial and Applied
    Mathematics, pp. 452–486, 2023.
  ista: Boissonnat JD, Kachanovich S, Wintraecken M. 2023. Tracing isomanifolds in
    Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. SIAM
    Journal on Computing. 52(2), 452–486.
  mla: Boissonnat, Jean Daniel, et al. “Tracing Isomanifolds in Rd in Time Polynomial
    in d Using Coxeter–Freudenthal–Kuhn Triangulations.” <i>SIAM Journal on Computing</i>,
    vol. 52, no. 2, Society for Industrial and Applied Mathematics, 2023, pp. 452–86,
    doi:<a href="https://doi.org/10.1137/21M1412918">10.1137/21M1412918</a>.
  short: J.D. Boissonnat, S. Kachanovich, M. Wintraecken, SIAM Journal on Computing
    52 (2023) 452–486.
corr_author: '1'
date_created: 2023-05-14T22:01:00Z
date_published: 2023-04-30T00:00:00Z
date_updated: 2025-04-15T06:54:46Z
day: '30'
department:
- _id: HeEd
doi: 10.1137/21M1412918
ec_funded: 1
external_id:
  isi:
  - '001013183000012'
intvolume: '        52'
isi: 1
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://hal-emse.ccsd.cnrs.fr/3IA-COTEDAZUR/hal-04083489v1
month: '04'
oa: 1
oa_version: Submitted Version
page: 452-486
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: fc390959-9c52-11eb-aca3-afa58bd282b2
  grant_number: M03073
  name: Learning and triangulating manifolds via collapses
publication: SIAM Journal on Computing
publication_identifier:
  eissn:
  - 1095-7111
  issn:
  - 0097-5397
publication_status: published
publisher: Society for Industrial and Applied Mathematics
quality_controlled: '1'
related_material:
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    relation: earlier_version
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scopus_import: '1'
status: public
title: Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn
  triangulations
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 52
year: '2023'
...
---
_id: '12961'
abstract:
- lang: eng
  text: 'Two notes separated by a doubling in frequency sound similar to humans. This
    “octave equivalence” is critical to perception and production of music and speech
    and occurs early in human development. Because it also occurs cross-culturally,
    a biological basis of octave equivalence has been hypothesized. Members of our
    team previousy suggested four human traits are at the root of this phenomenon:
    (1) vocal learning, (2) clear octave information in vocal harmonics, (3) differing
    vocal ranges, and (4) vocalizing together. Using cross-species studies, we can
    test how relevant these respective traits are, while controlling for enculturation
    effects and addressing questions of phylogeny. Common marmosets possess forms
    of three of the four traits, lacking differing vocal ranges. We tested 11 common
    marmosets by adapting an established head-turning paradigm, creating a parallel
    test to an important infant study. Unlike human infants, marmosets responded similarly
    to tones shifted by an octave or other intervals. Because previous studies with
    the same head-turning paradigm produced differential results to discernable acoustic
    stimuli in common marmosets, our results suggest that marmosets do not perceive
    octave equivalence. Our work suggests differing vocal ranges between adults and
    children and men and women and the way they are used in singing together may be
    critical to the development of octave equivalence.'
acknowledgement: We thank Prof. Dr. Thomas Bugnyar for supporting the study and financing
  the marmoset laboratory, and Alexandra Bohmann and the animal keeping team for their
  care. Vedrana Šlipogor was funded by University of South Bohemia postdoctoral fellowship.
article_number: e13395
article_processing_charge: No
article_type: original
author:
- first_name: Bernhard
  full_name: Wagner, Bernhard
  last_name: Wagner
- first_name: Vedrana
  full_name: Šlipogor, Vedrana
  last_name: Šlipogor
- first_name: Jinook
  full_name: Oh, Jinook
  id: 403169A4-080F-11EA-9993-BF3F3DDC885E
  last_name: Oh
  orcid: 0000-0001-7425-2372
- first_name: Marion
  full_name: Varga, Marion
  last_name: Varga
- first_name: Marisa
  full_name: Hoeschele, Marisa
  last_name: Hoeschele
citation:
  ama: Wagner B, Šlipogor V, Oh J, Varga M, Hoeschele M. A comparison between common
    marmosets (Callithrix jacchus) and human infants sheds light on traits proposed
    to be at the root of human octave equivalence. <i>Developmental Science</i>. 2023;26(5).
    doi:<a href="https://doi.org/10.1111/desc.13395">10.1111/desc.13395</a>
  apa: Wagner, B., Šlipogor, V., Oh, J., Varga, M., &#38; Hoeschele, M. (2023). A
    comparison between common marmosets (Callithrix jacchus) and human infants sheds
    light on traits proposed to be at the root of human octave equivalence. <i>Developmental
    Science</i>. Wiley. <a href="https://doi.org/10.1111/desc.13395">https://doi.org/10.1111/desc.13395</a>
  chicago: Wagner, Bernhard, Vedrana Šlipogor, Jinook Oh, Marion Varga, and Marisa
    Hoeschele. “A Comparison between Common Marmosets (Callithrix Jacchus) and Human
    Infants Sheds Light on Traits Proposed to Be at the Root of Human Octave Equivalence.”
    <i>Developmental Science</i>. Wiley, 2023. <a href="https://doi.org/10.1111/desc.13395">https://doi.org/10.1111/desc.13395</a>.
  ieee: B. Wagner, V. Šlipogor, J. Oh, M. Varga, and M. Hoeschele, “A comparison between
    common marmosets (Callithrix jacchus) and human infants sheds light on traits
    proposed to be at the root of human octave equivalence,” <i>Developmental Science</i>,
    vol. 26, no. 5. Wiley, 2023.
  ista: Wagner B, Šlipogor V, Oh J, Varga M, Hoeschele M. 2023. A comparison between
    common marmosets (Callithrix jacchus) and human infants sheds light on traits
    proposed to be at the root of human octave equivalence. Developmental Science.
    26(5), e13395.
  mla: Wagner, Bernhard, et al. “A Comparison between Common Marmosets (Callithrix
    Jacchus) and Human Infants Sheds Light on Traits Proposed to Be at the Root of
    Human Octave Equivalence.” <i>Developmental Science</i>, vol. 26, no. 5, e13395,
    Wiley, 2023, doi:<a href="https://doi.org/10.1111/desc.13395">10.1111/desc.13395</a>.
  short: B. Wagner, V. Šlipogor, J. Oh, M. Varga, M. Hoeschele, Developmental Science
    26 (2023).
date_created: 2023-05-14T22:01:00Z
date_published: 2023-09-01T00:00:00Z
date_updated: 2023-10-04T11:37:33Z
day: '01'
department:
- _id: SyCr
doi: 10.1111/desc.13395
external_id:
  pmid:
  - '37101383'
intvolume: '        26'
issue: '5'
language:
- iso: eng
month: '09'
oa_version: None
pmid: 1
publication: Developmental Science
publication_identifier:
  eissn:
  - 1467-7687
  issn:
  - 1363-755X
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: A comparison between common marmosets (Callithrix jacchus) and human infants
  sheds light on traits proposed to be at the root of human octave equivalence
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 26
year: '2023'
...
---
_id: '12972'
abstract:
- lang: eng
  text: Embroidery is a long-standing and high-quality approach to making logos and
    images on textiles. Nowadays, it can also be performed via automated machines
    that weave threads with high spatial accuracy. A characteristic feature of the
    appearance of the threads is a high degree of anisotropy. The anisotropic behavior
    is caused by depositing thin but long strings of thread. As a result, the stitched
    patterns convey both color and direction. Artists leverage this anisotropic behavior
    to enhance pure color images with textures, illusions of motion, or depth cues.
    However, designing colorful embroidery patterns with prescribed directionality
    is a challenging task, one usually requiring an expert designer. In this work,
    we propose an interactive algorithm that generates machine-fabricable embroidery
    patterns from multi-chromatic images equipped with user-specified directionality
    fields.We cast the problem of finding a stitching pattern into vector theory.
    To find a suitable stitching pattern, we extract sources and sinks from the divergence
    field of the vector field extracted from the input and use them to trace streamlines.
    We further optimize the streamlines to guarantee a smooth and connected stitching
    pattern. The generated patterns approximate the color distribution constrained
    by the directionality field. To allow for further artistic control, the trade-off
    between color match and directionality match can be interactively explored via
    an intuitive slider. We showcase our approach by fabricating several embroidery
    paths.
acknowledgement: This work was supported by the European Research Council (ERC) under
  the European Union’s Horizon 2020 research and innovation program (grant agreement
  No 715767 – MATERIALIZABLE), and FWF Lise Meitner (Grant M 3319). We thank the anonymous
  reviewers for their insightful feedback; Solal Pirelli, Shardul Chiplunkar, and
  Paola Mejia for proofreading; everyone in the visual computing group at ISTA for
  inspiring lunch and coffee breaks; Thibault Tricard for help producing the results
  of Phasor Noise.
article_processing_charge: No
article_type: original
author:
- first_name: Zhenyuan
  full_name: Liu, Zhenyuan
  id: 70f0d7cf-ae65-11ec-a14f-89dfc5505b19
  last_name: Liu
  orcid: 0000-0001-9200-5690
- first_name: Michael
  full_name: Piovarci, Michael
  id: 62E473F4-5C99-11EA-A40E-AF823DDC885E
  last_name: Piovarci
  orcid: 0000-0002-5062-4474
- first_name: Christian
  full_name: Hafner, Christian
  id: 400429CC-F248-11E8-B48F-1D18A9856A87
  last_name: Hafner
- first_name: Raphael
  full_name: Charrondiere, Raphael
  id: a3a24133-2cc7-11ec-be88-8ddaf6f464b1
  last_name: Charrondiere
- first_name: Bernd
  full_name: Bickel, Bernd
  id: 49876194-F248-11E8-B48F-1D18A9856A87
  last_name: Bickel
  orcid: 0000-0001-6511-9385
citation:
  ama: Liu Z, Piovarci M, Hafner C, Charrondiere R, Bickel B. Directionality-aware
    design of embroidery patterns. <i>Computer Graphics Forum</i>. 2023;42(2):397-409.
    doi:<a href="https://doi.org/10.1111/cgf.14770 ">10.1111/cgf.14770 </a>
  apa: 'Liu, Z., Piovarci, M., Hafner, C., Charrondiere, R., &#38; Bickel, B. (2023).
    Directionality-aware design of embroidery patterns. <i>Computer Graphics Forum</i>.
    Saarbrucken, Germany: Wiley. <a href="https://doi.org/10.1111/cgf.14770 ">https://doi.org/10.1111/cgf.14770
    </a>'
  chicago: Liu, Zhenyuan, Michael Piovarci, Christian Hafner, Raphael Charrondiere,
    and Bernd Bickel. “Directionality-Aware Design of Embroidery Patterns.” <i>Computer
    Graphics Forum</i>. Wiley, 2023. <a href="https://doi.org/10.1111/cgf.14770 ">https://doi.org/10.1111/cgf.14770
    </a>.
  ieee: Z. Liu, M. Piovarci, C. Hafner, R. Charrondiere, and B. Bickel, “Directionality-aware
    design of embroidery patterns,” <i>Computer Graphics Forum</i>, vol. 42, no. 2.
    Wiley, pp. 397–409, 2023.
  ista: Liu Z, Piovarci M, Hafner C, Charrondiere R, Bickel B. 2023. Directionality-aware
    design of embroidery patterns. Computer Graphics Forum. 42(2), 397–409.
  mla: Liu, Zhenyuan, et al. “Directionality-Aware Design of Embroidery Patterns.”
    <i>Computer Graphics Forum</i>, vol. 42, no. 2, Wiley, 2023, pp. 397–409, doi:<a
    href="https://doi.org/10.1111/cgf.14770 ">10.1111/cgf.14770 </a>.
  short: Z. Liu, M. Piovarci, C. Hafner, R. Charrondiere, B. Bickel, Computer Graphics
    Forum 42 (2023) 397–409.
conference:
  end_date: 2023-05-12
  location: Saarbrucken, Germany
  name: 'EG: Eurographics'
  start_date: 2023-05-08
corr_author: '1'
date_created: 2023-05-16T08:47:25Z
date_published: 2023-05-08T00:00:00Z
date_updated: 2025-04-14T07:28:57Z
day: '08'
ddc:
- '004'
department:
- _id: BeBi
doi: '10.1111/cgf.14770 '
ec_funded: 1
external_id:
  isi:
  - '001000062600033'
file:
- access_level: open_access
  checksum: 4c188c2be4745467a8790bbf5d6491aa
  content_type: application/pdf
  creator: mpiovarc
  date_created: 2023-05-16T08:28:37Z
  date_updated: 2023-05-16T08:28:37Z
  file_id: '12974'
  file_name: Zhenyuan2023.pdf
  file_size: 24003702
  relation: main_file
  success: 1
file_date_updated: 2023-05-16T08:28:37Z
has_accepted_license: '1'
intvolume: '        42'
isi: 1
issue: '2'
keyword:
- embroidery
- design
- directionality
- density
- image
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc-nd/4.0/
month: '05'
oa: 1
oa_version: Published Version
page: 397-409
project:
- _id: eb901961-77a9-11ec-83b8-f5c883a62027
  grant_number: M03319
  name: Perception-Aware Appearance Fabrication
- _id: 24F9549A-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '715767'
  name: 'MATERIALIZABLE: Intelligent fabrication-oriented Computational Design and
    Modeling'
publication: Computer Graphics Forum
publication_identifier:
  issn:
  - 1467-8659
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Directionality-aware design of embroidery patterns
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: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 42
year: '2023'
...
---
_id: '12976'
abstract:
- lang: eng
  text: "3D printing based on continuous deposition of materials, such as filament-based
    3D printing, has seen widespread adoption thanks to its versatility in working
    with a wide range of materials. An important shortcoming of this type of technology
    is its limited multi-material capabilities. While there are simple hardware designs
    that enable multi-material printing in principle, the required software is heavily
    underdeveloped. A typical hardware design fuses together individual materials
    fed into a single chamber from multiple inlets before they are deposited. This
    design, however, introduces a time delay between the intended material mixture
    and its actual deposition. In this work, inspired by diverse path planning research
    in robotics, we show that this mechanical challenge can be addressed via improved
    printer control. We propose to formulate the search for optimal multi-material
    printing policies in a reinforcement\r\nlearning setup. We put forward a simple
    numerical deposition model that takes into account the non-linear material mixing
    and delayed material deposition. To validate our system we focus on color fabrication,
    a problem known for its strict requirements for varying material mixtures at a
    high spatial frequency. We demonstrate that our learned control policy outperforms
    state-of-the-art hand-crafted algorithms."
acknowledgement: This work is graciously supported by FWF Lise Meitner (Grant M 3319).
  Kang Liao sincerely thank Emiliano Luci, Chunyu Lin, and Yao Zhao for their huge
  support.
article_processing_charge: No
author:
- first_name: Kang
  full_name: Liao, Kang
  last_name: Liao
- first_name: Thibault
  full_name: Tricard, Thibault
  last_name: Tricard
- first_name: Michael
  full_name: Piovarci, Michael
  id: 62E473F4-5C99-11EA-A40E-AF823DDC885E
  last_name: Piovarci
  orcid: 0000-0002-5062-4474
- first_name: Hans-Peter
  full_name: Seidel, Hans-Peter
  last_name: Seidel
- first_name: Vahid
  full_name: Babaei, Vahid
  last_name: Babaei
citation:
  ama: 'Liao K, Tricard T, Piovarci M, Seidel H-P, Babaei V. Learning deposition policies
    for fused multi-material 3D printing. In: <i>2023 IEEE International Conference
    on Robotics and Automation</i>. Vol 2023. IEEE; 2023:12345-12352. doi:<a href="https://doi.org/10.1109/ICRA48891.2023.10160465">10.1109/ICRA48891.2023.10160465</a>'
  apa: 'Liao, K., Tricard, T., Piovarci, M., Seidel, H.-P., &#38; Babaei, V. (2023).
    Learning deposition policies for fused multi-material 3D printing. In <i>2023
    IEEE International Conference on Robotics and Automation</i> (Vol. 2023, pp. 12345–12352).
    London, United Kingdom: IEEE. <a href="https://doi.org/10.1109/ICRA48891.2023.10160465">https://doi.org/10.1109/ICRA48891.2023.10160465</a>'
  chicago: Liao, Kang, Thibault Tricard, Michael Piovarci, Hans-Peter Seidel, and
    Vahid Babaei. “Learning Deposition Policies for Fused Multi-Material 3D Printing.”
    In <i>2023 IEEE International Conference on Robotics and Automation</i>, 2023:12345–52.
    IEEE, 2023. <a href="https://doi.org/10.1109/ICRA48891.2023.10160465">https://doi.org/10.1109/ICRA48891.2023.10160465</a>.
  ieee: K. Liao, T. Tricard, M. Piovarci, H.-P. Seidel, and V. Babaei, “Learning deposition
    policies for fused multi-material 3D printing,” in <i>2023 IEEE International
    Conference on Robotics and Automation</i>, London, United Kingdom, 2023, vol.
    2023, pp. 12345–12352.
  ista: 'Liao K, Tricard T, Piovarci M, Seidel H-P, Babaei V. 2023. Learning deposition
    policies for fused multi-material 3D printing. 2023 IEEE International Conference
    on Robotics and Automation. ICRA: International Conference on Robotics and Automation
    vol. 2023, 12345–12352.'
  mla: Liao, Kang, et al. “Learning Deposition Policies for Fused Multi-Material 3D
    Printing.” <i>2023 IEEE International Conference on Robotics and Automation</i>,
    vol. 2023, IEEE, 2023, pp. 12345–52, doi:<a href="https://doi.org/10.1109/ICRA48891.2023.10160465">10.1109/ICRA48891.2023.10160465</a>.
  short: K. Liao, T. Tricard, M. Piovarci, H.-P. Seidel, V. Babaei, in:, 2023 IEEE
    International Conference on Robotics and Automation, IEEE, 2023, pp. 12345–12352.
conference:
  end_date: 2023-06-02
  location: London, United Kingdom
  name: 'ICRA: International Conference on Robotics and Automation'
  start_date: 2023-05-29
date_created: 2023-05-16T09:14:09Z
date_published: 2023-07-04T00:00:00Z
date_updated: 2025-04-15T07:43:52Z
day: '04'
ddc:
- '004'
department:
- _id: BeBi
doi: 10.1109/ICRA48891.2023.10160465
external_id:
  isi:
  - '001048371104068'
file:
- access_level: open_access
  checksum: daeaa67124777d88487f933ea3f77164
  content_type: application/pdf
  creator: mpiovarc
  date_created: 2023-05-16T09:12:05Z
  date_updated: 2023-05-16T09:12:05Z
  file_id: '12977'
  file_name: Liao2023.pdf
  file_size: 5367986
  relation: main_file
  success: 1
file_date_updated: 2023-05-16T09:12:05Z
has_accepted_license: '1'
intvolume: '      2023'
isi: 1
keyword:
- reinforcement learning
- deposition
- control
- color
- multi-filament
language:
- iso: eng
month: '07'
oa: 1
oa_version: Submitted Version
page: 12345-12352
project:
- _id: eb901961-77a9-11ec-83b8-f5c883a62027
  grant_number: M03319
  name: Perception-Aware Appearance Fabrication
publication: 2023 IEEE International Conference on Robotics and Automation
publication_identifier:
  eisbn:
  - '9798350323658'
  issn:
  - 1050-4729
publication_status: published
publisher: IEEE
quality_controlled: '1'
scopus_import: '1'
status: public
title: Learning deposition policies for fused multi-material 3D printing
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 2023
year: '2023'
...
