---
_id: '9646'
abstract:
- lang: eng
  text: We consider the fundamental problem of deriving quantitative bounds on the
    probability that a given assertion is violated in a probabilistic program. We
    provide automated algorithms that obtain both lower and upper bounds on the assertion
    violation probability. The main novelty of our approach is that we prove new and
    dedicated fixed-point theorems which serve as the theoretical basis of our algorithms
    and enable us to reason about assertion violation bounds in terms of pre and post
    fixed-point functions. To synthesize such fixed-points, we devise algorithms that
    utilize a wide range of mathematical tools, including repulsing ranking supermartingales,
    Hoeffding's lemma, Minkowski decompositions, Jensen's inequality, and convex optimization.
    On the theoretical side, we provide (i) the first automated algorithm for lower-bounds
    on assertion violation probabilities, (ii) the first complete algorithm for upper-bounds
    of exponential form in affine programs, and (iii) provably and significantly tighter
    upper-bounds than the previous approaches. On the practical side, we show our
    algorithms can handle a wide variety of programs from the literature and synthesize
    bounds that are remarkably tighter than previous results, in some cases by thousands
    of orders of magnitude.
acknowledgement: 'We are very thankful to the anonymous reviewers for the helpful
  and valuable comments. The work was partially supported by the National Natural
  Science Foundation of China (NSFC) Grant No. 61802254, the Huawei Innovation Research
  Program, the ERC CoG 863818 (ForM-SMArt), the Facebook PhD Fellowship Program and
  DOC Fellowship #24956 of the Austrian Academy of Sciences (ÖAW).'
article_processing_charge: No
arxiv: 1
author:
- first_name: Jinyi
  full_name: Wang, Jinyi
  last_name: Wang
- first_name: Yican
  full_name: Sun, Yican
  last_name: Sun
- first_name: Hongfei
  full_name: Fu, Hongfei
  id: 3AAD03D6-F248-11E8-B48F-1D18A9856A87
  last_name: Fu
- first_name: Krishnendu
  full_name: Chatterjee, Krishnendu
  id: 2E5DCA20-F248-11E8-B48F-1D18A9856A87
  last_name: Chatterjee
  orcid: 0000-0002-4561-241X
- first_name: Amir Kafshdar
  full_name: Goharshady, Amir Kafshdar
  id: 391365CE-F248-11E8-B48F-1D18A9856A87
  last_name: Goharshady
  orcid: 0000-0003-1702-6584
citation:
  ama: 'Wang J, Sun Y, Fu H, Chatterjee K, Goharshady AK. Quantitative analysis of
    assertion violations in probabilistic programs. In: <i>Proceedings of the 42nd
    ACM SIGPLAN International Conference on Programming Language Design and Implementation</i>.
    Association for Computing Machinery; 2021:1171-1186. doi:<a href="https://doi.org/10.1145/3453483.3454102">10.1145/3453483.3454102</a>'
  apa: 'Wang, J., Sun, Y., Fu, H., Chatterjee, K., &#38; Goharshady, A. K. (2021).
    Quantitative analysis of assertion violations in probabilistic programs. In <i>Proceedings
    of the 42nd ACM SIGPLAN International Conference on Programming Language Design
    and Implementation</i> (pp. 1171–1186). Online: Association for Computing Machinery.
    <a href="https://doi.org/10.1145/3453483.3454102">https://doi.org/10.1145/3453483.3454102</a>'
  chicago: Wang, Jinyi, Yican Sun, Hongfei Fu, Krishnendu Chatterjee, and Amir Kafshdar
    Goharshady. “Quantitative Analysis of Assertion Violations in Probabilistic Programs.”
    In <i>Proceedings of the 42nd ACM SIGPLAN International Conference on Programming
    Language Design and Implementation</i>, 1171–86. Association for Computing Machinery,
    2021. <a href="https://doi.org/10.1145/3453483.3454102">https://doi.org/10.1145/3453483.3454102</a>.
  ieee: J. Wang, Y. Sun, H. Fu, K. Chatterjee, and A. K. Goharshady, “Quantitative
    analysis of assertion violations in probabilistic programs,” in <i>Proceedings
    of the 42nd ACM SIGPLAN International Conference on Programming Language Design
    and Implementation</i>, Online, 2021, pp. 1171–1186.
  ista: 'Wang J, Sun Y, Fu H, Chatterjee K, Goharshady AK. 2021. Quantitative analysis
    of assertion violations in probabilistic programs. Proceedings of the 42nd ACM
    SIGPLAN International Conference on Programming Language Design and Implementation.
    PLDI: Programming Language Design and Implementation, 1171–1186.'
  mla: Wang, Jinyi, et al. “Quantitative Analysis of Assertion Violations in Probabilistic
    Programs.” <i>Proceedings of the 42nd ACM SIGPLAN International Conference on
    Programming Language Design and Implementation</i>, Association for Computing
    Machinery, 2021, pp. 1171–86, doi:<a href="https://doi.org/10.1145/3453483.3454102">10.1145/3453483.3454102</a>.
  short: J. Wang, Y. Sun, H. Fu, K. Chatterjee, A.K. Goharshady, in:, Proceedings
    of the 42nd ACM SIGPLAN International Conference on Programming Language Design
    and Implementation, Association for Computing Machinery, 2021, pp. 1171–1186.
conference:
  end_date: 2021-06-26
  location: Online
  name: 'PLDI: Programming Language Design and Implementation'
  start_date: 2021-06-20
date_created: 2021-07-11T22:01:18Z
date_published: 2021-06-01T00:00:00Z
date_updated: 2025-04-15T07:55:05Z
day: '01'
department:
- _id: KrCh
doi: 10.1145/3453483.3454102
ec_funded: 1
external_id:
  arxiv:
  - '2011.14617'
  isi:
  - '000723661700076'
isi: 1
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2011.14617
month: '06'
oa: 1
oa_version: Preprint
page: 1171-1186
project:
- _id: 0599E47C-7A3F-11EA-A408-12923DDC885E
  call_identifier: H2020
  grant_number: '863818'
  name: 'Formal Methods for Stochastic Models: Algorithms and Applications'
- _id: 267066CE-B435-11E9-9278-68D0E5697425
  name: Quantitative Analysis of Probabilistic Systems with a focus on Crypto-Currencies
publication: Proceedings of the 42nd ACM SIGPLAN International Conference on Programming
  Language Design and Implementation
publication_identifier:
  isbn:
  - '9781450383912'
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
scopus_import: '1'
status: public
title: Quantitative analysis of assertion violations in probabilistic programs
type: conference
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2021'
...
---
_id: '9647'
abstract:
- lang: eng
  text: 'Gene expression is regulated by the set of transcription factors (TFs) that
    bind to the promoter. The ensuing regulating function is often represented as
    a combinational logic circuit, where output (gene expression) is determined by
    current input values (promoter bound TFs) only. However, the simultaneous arrival
    of TFs is a strong assumption, since transcription and translation of genes introduce
    intrinsic time delays and there is no global synchronisation among the arrival
    times of different molecular species at their targets. We present an experimentally
    implementable genetic circuit with two inputs and one output, which in the presence
    of small delays in input arrival, exhibits qualitatively distinct population-level
    phenotypes, over timescales that are longer than typical cell doubling times.
    From a dynamical systems point of view, these phenotypes represent long-lived
    transients: although they converge to the same value eventually, they do so after
    a very long time span. The key feature of this toy model genetic circuit is that,
    despite having only two inputs and one output, it is regulated by twenty-three
    distinct DNA-TF configurations, two of which are more stable than others (DNA
    looped states), one promoting and another blocking the expression of the output
    gene. Small delays in input arrival time result in a majority of cells in the
    population quickly reaching the stable state associated with the first input,
    while exiting of this stable state occurs at a slow timescale. In order to mechanistically
    model the behaviour of this genetic circuit, we used a rule-based modelling language,
    and implemented a grid-search to find parameter combinations giving rise to long-lived
    transients. Our analysis shows that in the absence of feedback, there exist path-dependent
    gene regulatory mechanisms based on the long timescale of transients. The behaviour
    of this toy model circuit suggests that gene regulatory networks can exploit event
    timing to create phenotypes, and it opens the possibility that they could use
    event timing to memorise events, without regulatory feedback. The model reveals
    the importance of (i) mechanistically modelling the transitions between the different
    DNA-TF states, and (ii) employing transient analysis thereof.'
acknowledgement: 'Tatjana Petrov’s research was supported in part by SNSF Advanced
  Postdoctoral Mobility Fellowship grant number P300P2 161067, the Ministry of Science,
  Research and the Arts of the state of Baden-Wurttemberg, and the DFG Centre of Excellence
  2117 ‘Centre for the Advanced Study of Collective Behaviour’ (ID: 422037984). Claudia
  Igler is the recipient of a DOC Fellowship of the Austrian Academy of Sciences.
  Thomas A. Henzinger’s research was supported in part by the Austrian Science Fund
  (FWF) under grant Z211-N23 (Wittgenstein Award).'
article_processing_charge: No
article_type: original
author:
- first_name: Tatjana
  full_name: Petrov, Tatjana
  last_name: Petrov
- first_name: Claudia
  full_name: Igler, Claudia
  id: 46613666-F248-11E8-B48F-1D18A9856A87
  last_name: Igler
- first_name: Ali
  full_name: Sezgin, Ali
  id: 4C7638DA-F248-11E8-B48F-1D18A9856A87
  last_name: Sezgin
- first_name: Thomas A
  full_name: Henzinger, Thomas A
  id: 40876CD8-F248-11E8-B48F-1D18A9856A87
  last_name: Henzinger
  orcid: 0000-0002-2985-7724
- first_name: Calin C
  full_name: Guet, Calin C
  id: 47F8433E-F248-11E8-B48F-1D18A9856A87
  last_name: Guet
  orcid: 0000-0001-6220-2052
citation:
  ama: Petrov T, Igler C, Sezgin A, Henzinger TA, Guet CC. Long lived transients in
    gene regulation. <i>Theoretical Computer Science</i>. 2021;893:1-16. doi:<a href="https://doi.org/10.1016/j.tcs.2021.05.023">10.1016/j.tcs.2021.05.023</a>
  apa: Petrov, T., Igler, C., Sezgin, A., Henzinger, T. A., &#38; Guet, C. C. (2021).
    Long lived transients in gene regulation. <i>Theoretical Computer Science</i>.
    Elsevier. <a href="https://doi.org/10.1016/j.tcs.2021.05.023">https://doi.org/10.1016/j.tcs.2021.05.023</a>
  chicago: Petrov, Tatjana, Claudia Igler, Ali Sezgin, Thomas A Henzinger, and Calin
    C Guet. “Long Lived Transients in Gene Regulation.” <i>Theoretical Computer Science</i>.
    Elsevier, 2021. <a href="https://doi.org/10.1016/j.tcs.2021.05.023">https://doi.org/10.1016/j.tcs.2021.05.023</a>.
  ieee: T. Petrov, C. Igler, A. Sezgin, T. A. Henzinger, and C. C. Guet, “Long lived
    transients in gene regulation,” <i>Theoretical Computer Science</i>, vol. 893.
    Elsevier, pp. 1–16, 2021.
  ista: Petrov T, Igler C, Sezgin A, Henzinger TA, Guet CC. 2021. Long lived transients
    in gene regulation. Theoretical Computer Science. 893, 1–16.
  mla: Petrov, Tatjana, et al. “Long Lived Transients in Gene Regulation.” <i>Theoretical
    Computer Science</i>, vol. 893, Elsevier, 2021, pp. 1–16, doi:<a href="https://doi.org/10.1016/j.tcs.2021.05.023">10.1016/j.tcs.2021.05.023</a>.
  short: T. Petrov, C. Igler, A. Sezgin, T.A. Henzinger, C.C. Guet, Theoretical Computer
    Science 893 (2021) 1–16.
corr_author: '1'
date_created: 2021-07-11T22:01:18Z
date_published: 2021-06-04T00:00:00Z
date_updated: 2025-04-15T06:25:56Z
day: '04'
ddc:
- '004'
department:
- _id: ToHe
- _id: CaGu
doi: 10.1016/j.tcs.2021.05.023
external_id:
  isi:
  - '000710180500002'
file:
- access_level: open_access
  checksum: d3aef34cfb13e53bba4cf44d01680793
  content_type: application/pdf
  creator: dernst
  date_created: 2022-05-12T12:13:27Z
  date_updated: 2022-05-12T12:13:27Z
  file_id: '11364'
  file_name: 2021_TheoreticalComputerScience_Petrov.pdf
  file_size: 2566504
  relation: main_file
  success: 1
file_date_updated: 2022-05-12T12:13:27Z
has_accepted_license: '1'
intvolume: '       893'
isi: 1
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc-nd/4.0/
month: '06'
oa: 1
oa_version: Published Version
page: 1-16
project:
- _id: 25F42A32-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z211
  name: Formal methods for the design and analysis of complex systems
publication: Theoretical Computer Science
publication_identifier:
  issn:
  - 0304-3975
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Long lived transients in gene regulation
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: 893
year: '2021'
...
---
_id: '9656'
abstract:
- lang: eng
  text: Tropisms, growth responses to environmental stimuli such as light or gravity,
    are spectacular examples of adaptive plant development. The plant hormone auxin
    serves as a major coordinative signal. The PIN auxin exporters, through their
    dynamic polar subcellular localizations, redirect auxin fluxes in response to
    environmental stimuli and the resulting auxin gradients across organs underly
    differential cell elongation and bending. In this review, we discuss recent advances
    concerning regulations of PIN polarity during tropisms, focusing on PIN phosphorylation
    and trafficking. We also cover how environmental cues regulate PIN actions during
    tropisms, and a crucial role of auxin feedback on PIN polarity during bending
    termination. Finally, the interactions between different tropisms are reviewed
    to understand plant adaptive growth in the natural environment.
acknowledgement: We are grateful to Lukas Fiedler, Alexandra Mally (IST Austria) and
  Dr. Bartel Vanholme (VIB, Ghent) for their critical comments on the manuscript.
  We apologize to those researchers whose great work was not cited. This work is supported
  by the European Research Council under the European Union’s Horizon 2020 research
  and innovation Programme (ERC grant agreement number 742985), and the Austrian Science
  Fund (FWF, grant number I 3630-B25) to JF. HH is supported by the China Scholarship
  Council (CSC scholarship, 201506870018) and a starting grant from Jiangxi Agriculture
  University (9232308314).
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Huibin
  full_name: Han, Huibin
  id: 31435098-F248-11E8-B48F-1D18A9856A87
  last_name: Han
- first_name: Maciek
  full_name: Adamowski, Maciek
  id: 45F536D2-F248-11E8-B48F-1D18A9856A87
  last_name: Adamowski
  orcid: 0000-0001-6463-5257
- first_name: Linlin
  full_name: Qi, Linlin
  id: 44B04502-A9ED-11E9-B6FC-583AE6697425
  last_name: Qi
  orcid: 0000-0001-5187-8401
- first_name: SS
  full_name: Alotaibi, SS
  last_name: Alotaibi
- first_name: Jiří
  full_name: Friml, Jiří
  id: 4159519E-F248-11E8-B48F-1D18A9856A87
  last_name: Friml
  orcid: 0000-0002-8302-7596
citation:
  ama: Han H, Adamowski M, Qi L, Alotaibi S, Friml J. PIN-mediated polar auxin transport
    regulations in plant tropic responses. <i>New Phytologist</i>. 2021;232(2):510-522.
    doi:<a href="https://doi.org/10.1111/nph.17617">10.1111/nph.17617</a>
  apa: Han, H., Adamowski, M., Qi, L., Alotaibi, S., &#38; Friml, J. (2021). PIN-mediated
    polar auxin transport regulations in plant tropic responses. <i>New Phytologist</i>.
    Wiley. <a href="https://doi.org/10.1111/nph.17617">https://doi.org/10.1111/nph.17617</a>
  chicago: Han, Huibin, Maciek Adamowski, Linlin Qi, SS Alotaibi, and Jiří Friml.
    “PIN-Mediated Polar Auxin Transport Regulations in Plant Tropic Responses.” <i>New
    Phytologist</i>. Wiley, 2021. <a href="https://doi.org/10.1111/nph.17617">https://doi.org/10.1111/nph.17617</a>.
  ieee: H. Han, M. Adamowski, L. Qi, S. Alotaibi, and J. Friml, “PIN-mediated polar
    auxin transport regulations in plant tropic responses,” <i>New Phytologist</i>,
    vol. 232, no. 2. Wiley, pp. 510–522, 2021.
  ista: Han H, Adamowski M, Qi L, Alotaibi S, Friml J. 2021. PIN-mediated polar auxin
    transport regulations in plant tropic responses. New Phytologist. 232(2), 510–522.
  mla: Han, Huibin, et al. “PIN-Mediated Polar Auxin Transport Regulations in Plant
    Tropic Responses.” <i>New Phytologist</i>, vol. 232, no. 2, Wiley, 2021, pp. 510–22,
    doi:<a href="https://doi.org/10.1111/nph.17617">10.1111/nph.17617</a>.
  short: H. Han, M. Adamowski, L. Qi, S. Alotaibi, J. Friml, New Phytologist 232 (2021)
    510–522.
corr_author: '1'
date_created: 2021-07-14T15:29:14Z
date_published: 2021-10-01T00:00:00Z
date_updated: 2025-04-14T07:45:00Z
day: '01'
ddc:
- '580'
department:
- _id: JiFr
doi: 10.1111/nph.17617
ec_funded: 1
external_id:
  isi:
  - '000680587100001'
  pmid:
  - '34254313'
file:
- access_level: open_access
  checksum: 6422a6eb329b52d96279daaee0fcf189
  content_type: application/pdf
  creator: kschuh
  date_created: 2021-10-07T13:42:47Z
  date_updated: 2021-10-07T13:42:47Z
  file_id: '10105'
  file_name: 2021_NewPhytologist_Han.pdf
  file_size: 1939800
  relation: main_file
  success: 1
file_date_updated: 2021-10-07T13:42:47Z
has_accepted_license: '1'
intvolume: '       232'
isi: 1
issue: '2'
language:
- iso: eng
license: https://creativecommons.org/licenses/by/4.0/
month: '10'
oa: 1
oa_version: Published Version
page: 510-522
pmid: 1
project:
- _id: 261099A6-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '742985'
  name: Tracing Evolution of Auxin Transport and Polarity in Plants
- _id: 26538374-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: I03630
  name: Molecular mechanisms of endocytic cargo recognition in plants
publication: New Phytologist
publication_identifier:
  eissn:
  - 1469-8137
  issn:
  - 0028-646x
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: PIN-mediated polar auxin transport regulations in plant tropic responses
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: 232
year: '2021'
...
---
_id: '9657'
abstract:
- lang: eng
  text: To overcome nitrogen deficiency, legume roots establish symbiotic interactions
    with nitrogen-fixing rhizobia that is fostered in specialized organs (nodules).
    Similar to other organs, nodule formation is determined by a local maximum of
    the phytohormone auxin at the primordium site. However, how auxin regulates nodule
    development remains poorly understood. Here, we found that in soybean, (Glycine
    max), dynamic auxin transport driven by PIN-FORMED (PIN) transporter GmPIN1 is
    involved in nodule primordium formation. GmPIN1 was specifically expressed in
    nodule primordium cells and GmPIN1 was polarly localized in these cells. Two nodulation
    regulators, (iso)flavonoids trigger expanded distribution of GmPIN1b to root cortical
    cells, and cytokinin rearranges GmPIN1b polarity. Gmpin1abc triple mutants generated
    with CRISPR-Cas9 showed impaired establishment of auxin maxima in nodule meristems
    and aberrant divisions in the nodule primordium cells. Moreover, overexpression
    of GmPIN1 suppressed nodule primordium initiation. GmPIN9d, an ortholog of Arabidopsis
    thaliana PIN2, acts together with GmPIN1 later in nodule development to acropetally
    transport auxin in vascular bundles, fine-tuning the auxin supply for nodule enlargement.
    Our findings reveal how PIN-dependent auxin transport modulates different aspects
    of soybean nodule development and suggest that establishment of auxin gradient
    is a prerequisite for the proper interaction between legumes and rhizobia.
article_processing_charge: No
article_type: original
author:
- first_name: Z
  full_name: Gao, Z
  last_name: Gao
- first_name: Z
  full_name: Chen, Z
  last_name: Chen
- first_name: Y
  full_name: Cui, Y
  last_name: Cui
- first_name: M
  full_name: Ke, M
  last_name: Ke
- first_name: H
  full_name: Xu, H
  last_name: Xu
- first_name: Q
  full_name: Xu, Q
  last_name: Xu
- first_name: J
  full_name: Chen, J
  last_name: Chen
- first_name: Y
  full_name: Li, Y
  last_name: Li
- first_name: L
  full_name: Huang, L
  last_name: Huang
- first_name: H
  full_name: Zhao, H
  last_name: Zhao
- first_name: D
  full_name: Huang, D
  last_name: Huang
- first_name: S
  full_name: Mai, S
  last_name: Mai
- first_name: T
  full_name: Xu, T
  last_name: Xu
- first_name: X
  full_name: Liu, X
  last_name: Liu
- first_name: S
  full_name: Li, S
  last_name: Li
- first_name: Y
  full_name: Guan, Y
  last_name: Guan
- first_name: W
  full_name: Yang, W
  last_name: Yang
- first_name: Jiří
  full_name: Friml, Jiří
  id: 4159519E-F248-11E8-B48F-1D18A9856A87
  last_name: Friml
  orcid: 0000-0002-8302-7596
- first_name: J
  full_name: Petrášek, J
  last_name: Petrášek
- first_name: J
  full_name: Zhang, J
  last_name: Zhang
- first_name: X
  full_name: Chen, X
  last_name: Chen
citation:
  ama: Gao Z, Chen Z, Cui Y, et al. GmPIN-dependent polar auxin transport is involved
    in soybean nodule development. <i>Plant Cell</i>. 2021;33(9):2981–3003. doi:<a
    href="https://doi.org/10.1093/plcell/koab183">10.1093/plcell/koab183</a>
  apa: Gao, Z., Chen, Z., Cui, Y., Ke, M., Xu, H., Xu, Q., … Chen, X. (2021). GmPIN-dependent
    polar auxin transport is involved in soybean nodule development. <i>Plant Cell</i>.
    American Society of Plant Biologists. <a href="https://doi.org/10.1093/plcell/koab183">https://doi.org/10.1093/plcell/koab183</a>
  chicago: Gao, Z, Z Chen, Y Cui, M Ke, H Xu, Q Xu, J Chen, et al. “GmPIN-Dependent
    Polar Auxin Transport Is Involved in Soybean Nodule Development.” <i>Plant Cell</i>.
    American Society of Plant Biologists, 2021. <a href="https://doi.org/10.1093/plcell/koab183">https://doi.org/10.1093/plcell/koab183</a>.
  ieee: Z. Gao <i>et al.</i>, “GmPIN-dependent polar auxin transport is involved in
    soybean nodule development,” <i>Plant Cell</i>, vol. 33, no. 9. American Society
    of Plant Biologists, pp. 2981–3003, 2021.
  ista: Gao Z, Chen Z, Cui Y, Ke M, Xu H, Xu Q, Chen J, Li Y, Huang L, Zhao H, Huang
    D, Mai S, Xu T, Liu X, Li S, Guan Y, Yang W, Friml J, Petrášek J, Zhang J, Chen
    X. 2021. GmPIN-dependent polar auxin transport is involved in soybean nodule development.
    Plant Cell. 33(9), 2981–3003.
  mla: Gao, Z., et al. “GmPIN-Dependent Polar Auxin Transport Is Involved in Soybean
    Nodule Development.” <i>Plant Cell</i>, vol. 33, no. 9, American Society of Plant
    Biologists, 2021, pp. 2981–3003, doi:<a href="https://doi.org/10.1093/plcell/koab183">10.1093/plcell/koab183</a>.
  short: Z. Gao, Z. Chen, Y. Cui, M. Ke, H. Xu, Q. Xu, J. Chen, Y. Li, L. Huang, H.
    Zhao, D. Huang, S. Mai, T. Xu, X. Liu, S. Li, Y. Guan, W. Yang, J. Friml, J. Petrášek,
    J. Zhang, X. Chen, Plant Cell 33 (2021) 2981–3003.
date_created: 2021-07-14T15:32:43Z
date_published: 2021-07-07T00:00:00Z
date_updated: 2024-10-21T06:02:03Z
day: '07'
ddc:
- '580'
department:
- _id: JiFr
doi: 10.1093/plcell/koab183
external_id:
  isi:
  - '000702165300012'
  pmid:
  - '34240197'
file:
- access_level: open_access
  checksum: 6715712ec306c321f0204c817b7f8ae7
  content_type: application/pdf
  creator: cziletti
  date_created: 2021-07-19T12:13:34Z
  date_updated: 2021-07-19T12:13:34Z
  file_id: '9691'
  file_name: 2021_PlantCell_Gao.pdf
  file_size: 10566921
  relation: main_file
  success: 1
file_date_updated: 2021-07-19T12:13:34Z
has_accepted_license: '1'
intvolume: '        33'
isi: 1
issue: '9'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: 2981–3003
pmid: 1
publication: Plant Cell
publication_identifier:
  eissn:
  - 1532-298x
  issn:
  - 1040-4651
publication_status: published
publisher: American Society of Plant Biologists
quality_controlled: '1'
scopus_import: '1'
status: public
title: GmPIN-dependent polar auxin transport is involved in soybean nodule development
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: 33
year: '2021'
...
---
_id: '9669'
abstract:
- lang: eng
  text: The set of known stable phases of water may not be complete, and some of the
    phase boundaries between them are fuzzy. Starting from liquid water and a comprehensive
    set of 50 ice structures, we compute the phase diagram at three hybrid density-functional-theory
    levels of approximation, accounting for thermal and nuclear fluctuations as well
    as proton disorder. Such calculations are only made tractable because we combine
    machine-learning methods and advanced free-energy techniques. The computed phase
    diagram is in qualitative agreement with experiment, particularly at pressures ≲ 8000
    bar, and the discrepancy in chemical potential is comparable with the subtle uncertainties
    introduced by proton disorder and the spread between the three hybrid functionals.
    None of the hypothetical ice phases considered is thermodynamically stable in
    our calculations, suggesting the completeness of the experimental water phase
    diagram in the region considered. Our work demonstrates the feasibility of predicting
    the phase diagram of a polymorphic system from first principles and provides a
    thermodynamic way of testing the limits of quantum-mechanical calculations.
article_number: '588'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Aleks
  full_name: Reinhardt, Aleks
  last_name: Reinhardt
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Reinhardt A, Cheng B. Quantum-mechanical exploration of the phase diagram of
    water. <i>Nature Communications</i>. 2021;12(1). doi:<a href="https://doi.org/10.1038/s41467-020-20821-w">10.1038/s41467-020-20821-w</a>
  apa: Reinhardt, A., &#38; Cheng, B. (2021). Quantum-mechanical exploration of the
    phase diagram of water. <i>Nature Communications</i>. Springer Nature. <a href="https://doi.org/10.1038/s41467-020-20821-w">https://doi.org/10.1038/s41467-020-20821-w</a>
  chicago: Reinhardt, Aleks, and Bingqing Cheng. “Quantum-Mechanical Exploration of
    the Phase Diagram of Water.” <i>Nature Communications</i>. Springer Nature, 2021.
    <a href="https://doi.org/10.1038/s41467-020-20821-w">https://doi.org/10.1038/s41467-020-20821-w</a>.
  ieee: A. Reinhardt and B. Cheng, “Quantum-mechanical exploration of the phase diagram
    of water,” <i>Nature Communications</i>, vol. 12, no. 1. Springer Nature, 2021.
  ista: Reinhardt A, Cheng B. 2021. Quantum-mechanical exploration of the phase diagram
    of water. Nature Communications. 12(1), 588.
  mla: Reinhardt, Aleks, and Bingqing Cheng. “Quantum-Mechanical Exploration of the
    Phase Diagram of Water.” <i>Nature Communications</i>, vol. 12, no. 1, 588, Springer
    Nature, 2021, doi:<a href="https://doi.org/10.1038/s41467-020-20821-w">10.1038/s41467-020-20821-w</a>.
  short: A. Reinhardt, B. Cheng, Nature Communications 12 (2021).
date_created: 2021-07-15T13:48:13Z
date_published: 2021-01-26T00:00:00Z
date_updated: 2023-02-23T14:04:20Z
day: '26'
ddc:
- '530'
- '540'
doi: 10.1038/s41467-020-20821-w
extern: '1'
external_id:
  arxiv:
  - '2010.13729'
  pmid:
  - '33500405'
file:
- access_level: open_access
  checksum: 8b5e1fbe2f1ab936047008043150e894
  content_type: application/pdf
  creator: asandaue
  date_created: 2021-07-15T13:55:46Z
  date_updated: 2021-07-15T13:55:46Z
  file_id: '9670'
  file_name: 2021_NatureCommunications_Reinhardt.pdf
  file_size: 1180227
  relation: main_file
  success: 1
file_date_updated: 2021-07-15T13:55:46Z
has_accepted_license: '1'
intvolume: '        12'
issue: '1'
language:
- iso: eng
month: '01'
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: Quantum-mechanical exploration of the phase diagram of water
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: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 12
year: '2021'
...
---
_id: '9678'
abstract:
- lang: eng
  text: We introduce a new graph problem, the token dropping game, and we show how
    to solve it efficiently in a distributed setting. We use the token dropping game
    as a tool to design an efficient distributed algorithm for stable orientations
    and more generally for locally optimal semi-matchings. The prior work by Czygrinow
    et al. (DISC 2012) finds a stable orientation in O(Δ^5) rounds in graphs of maximum
    degree Δ, while we improve it to O(Δ^4) and also prove a lower bound of Ω(Δ).
    For the more general problem of locally optimal semi-matchings, the prior upper
    bound is O(S^5) and our new algorithm runs in O(C · S^4) rounds, which is an improvement
    for C = o(S); here C and S are the maximum degrees of customers and servers, respectively.
acknowledgement: We thank Orr Fischer, Juho Hirvonen, and Tuomo Lempiäinen for valuable
  discussions. This project has received funding from the European Union’s Horizon
  2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement
  No. 840605.
article_processing_charge: No
arxiv: 1
author:
- first_name: Sebastian
  full_name: Brandt, Sebastian
  last_name: Brandt
- first_name: Barbara
  full_name: Keller, Barbara
  last_name: Keller
- first_name: Joel
  full_name: Rybicki, Joel
  id: 334EFD2E-F248-11E8-B48F-1D18A9856A87
  last_name: Rybicki
  orcid: 0000-0002-6432-6646
- first_name: Jukka
  full_name: Suomela, Jukka
  last_name: Suomela
- first_name: Jara
  full_name: Uitto, Jara
  last_name: Uitto
citation:
  ama: 'Brandt S, Keller B, Rybicki J, Suomela J, Uitto J. Efficient load-balancing
    through distributed token dropping. In: <i>Annual ACM Symposium on Parallelism
    in Algorithms and Architectures</i>. ; 2021:129-139. doi:<a href="https://doi.org/10.1145/3409964.3461785">10.1145/3409964.3461785</a>'
  apa: Brandt, S., Keller, B., Rybicki, J., Suomela, J., &#38; Uitto, J. (2021). Efficient
    load-balancing through distributed token dropping. In <i>Annual ACM Symposium
    on Parallelism in Algorithms and Architectures</i> (pp. 129–139).  Virtual Event,
    United States. <a href="https://doi.org/10.1145/3409964.3461785">https://doi.org/10.1145/3409964.3461785</a>
  chicago: Brandt, Sebastian, Barbara Keller, Joel Rybicki, Jukka Suomela, and Jara
    Uitto. “Efficient Load-Balancing through Distributed Token Dropping.” In <i>Annual
    ACM Symposium on Parallelism in Algorithms and Architectures</i>, 129–39, 2021.
    <a href="https://doi.org/10.1145/3409964.3461785">https://doi.org/10.1145/3409964.3461785</a>.
  ieee: S. Brandt, B. Keller, J. Rybicki, J. Suomela, and J. Uitto, “Efficient load-balancing
    through distributed token dropping,” in <i>Annual ACM Symposium on Parallelism
    in Algorithms and Architectures</i>,  Virtual Event, United States, 2021, pp.
    129–139.
  ista: 'Brandt S, Keller B, Rybicki J, Suomela J, Uitto J. 2021. Efficient load-balancing
    through distributed token dropping. Annual ACM Symposium on Parallelism in Algorithms
    and Architectures. SPAA: Symposium on Parallelism in Algorithms and Architectures
    , 129–139.'
  mla: Brandt, Sebastian, et al. “Efficient Load-Balancing through Distributed Token
    Dropping.” <i>Annual ACM Symposium on Parallelism in Algorithms and Architectures</i>,
    2021, pp. 129–39, doi:<a href="https://doi.org/10.1145/3409964.3461785">10.1145/3409964.3461785</a>.
  short: S. Brandt, B. Keller, J. Rybicki, J. Suomela, J. Uitto, in:, Annual ACM Symposium
    on Parallelism in Algorithms and Architectures, 2021, pp. 129–139.
conference:
  end_date: 2021-07-08
  location: ' Virtual Event, United States'
  name: 'SPAA: Symposium on Parallelism in Algorithms and Architectures '
  start_date: 2021-07-06
date_created: 2021-07-18T22:01:22Z
date_published: 2021-07-06T00:00:00Z
date_updated: 2025-04-14T07:50:55Z
day: '06'
department:
- _id: DaAl
doi: 10.1145/3409964.3461785
ec_funded: 1
external_id:
  arxiv:
  - '2005.07761'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2005.07761
month: '07'
oa: 1
oa_version: Preprint
page: 129-139
project:
- _id: 26A5D39A-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '840605'
  name: Coordination in constrained and natural distributed systems
publication: Annual ACM Symposium on Parallelism in Algorithms and Architectures
publication_identifier:
  isbn:
  - '9781450380706'
publication_status: published
quality_controlled: '1'
related_material:
  record:
  - id: '15074'
    relation: earlier_version
    status: public
scopus_import: '1'
status: public
title: Efficient load-balancing through distributed token dropping
type: conference
user_id: D865714E-FA4E-11E9-B85B-F5C5E5697425
year: '2021'
...
---
_id: '9679'
abstract:
- lang: eng
  text: The relative motion of three impenetrable particles on a ring, in our case
    two identical fermions and one impurity, is isomorphic to a triangular quantum
    billiard. Depending on the ratio κ of the impurity and fermion masses, the billiards
    can be integrable or non-integrable (also referred to in the main text as chaotic).
    To set the stage, we first investigate the energy level distributions of the billiards
    as a function of 1/κ ∈ [0, 1] and find no evidence of integrable cases beyond
    the limiting values 1/κ = 1 and 1/κ = 0. Then, we use machine learning tools to
    analyze properties of probability distributions of individual quantum states.
    We find that convolutional neural networks can correctly classify integrable and
    non-integrable states. The decisive features of the wave functions are the normalization
    and a large number of zero elements, corresponding to the existence of a nodal
    line. The network achieves typical accuracies of 97%, suggesting that machine
    learning tools can be used to analyze and classify the morphology of probability
    densities obtained in theory or experiment.
acknowledgement: We thank Aidan Tracy for his input during the initial stages of this
  project. We thank Nathan Harshman, Achim Richter, Wojciech Rzadkowski, and Dane
  Hudson Smith for helpful discussions and comments on the manuscript. This work has
  been supported by European Union's Horizon 2020 research and innovation program
  under the Marie Skłodowska-Curie Grant Agreement No. 754411 (AGV); by the German
  Aeronautics and Space Administration (DLR) through Grant No. 50 WM 1957 (OVM); by
  the Deutsche Forschungsgemeinschaft through Project VO 2437/1-1 (Project No. 413495248)
  (AGV and HWH); by the Deutsche Forschungsgemeinschaft through Collaborative Research
  Center SFB 1245 (Project No. 279384907) and by the Bundesministerium für Bildung
  und Forschung under Contract 05P18RDFN1 (HWH). HWH also thanks the ECT* for hospitality
  during the workshop 'Universal physics in Many-Body Quantum Systems—From Atoms to
  Quarks'. This infrastructure is part of a project that has received funding from
  the European Union's Horizon 2020 research and innovation program under Grant Agreement
  No. 824093. We acknowledge support by the Deutsche Forschungsgemeinschaft and the
  Open Access Publishing Fund of Technische Universität Darmstadt.
article_number: '065009'
article_processing_charge: Yes
article_type: original
arxiv: 1
author:
- first_name: David
  full_name: Huber, David
  last_name: Huber
- first_name: Oleksandr V.
  full_name: Marchukov, Oleksandr V.
  last_name: Marchukov
- first_name: Hans Werner
  full_name: Hammer, Hans Werner
  last_name: Hammer
- first_name: Artem
  full_name: Volosniev, Artem
  id: 37D278BC-F248-11E8-B48F-1D18A9856A87
  last_name: Volosniev
  orcid: 0000-0003-0393-5525
citation:
  ama: Huber D, Marchukov OV, Hammer HW, Volosniev A. Morphology of three-body quantum
    states from machine learning. <i>New Journal of Physics</i>. 2021;23(6). doi:<a
    href="https://doi.org/10.1088/1367-2630/ac0576">10.1088/1367-2630/ac0576</a>
  apa: Huber, D., Marchukov, O. V., Hammer, H. W., &#38; Volosniev, A. (2021). Morphology
    of three-body quantum states from machine learning. <i>New Journal of Physics</i>.
    IOP Publishing. <a href="https://doi.org/10.1088/1367-2630/ac0576">https://doi.org/10.1088/1367-2630/ac0576</a>
  chicago: Huber, David, Oleksandr V. Marchukov, Hans Werner Hammer, and Artem Volosniev.
    “Morphology of Three-Body Quantum States from Machine Learning.” <i>New Journal
    of Physics</i>. IOP Publishing, 2021. <a href="https://doi.org/10.1088/1367-2630/ac0576">https://doi.org/10.1088/1367-2630/ac0576</a>.
  ieee: D. Huber, O. V. Marchukov, H. W. Hammer, and A. Volosniev, “Morphology of
    three-body quantum states from machine learning,” <i>New Journal of Physics</i>,
    vol. 23, no. 6. IOP Publishing, 2021.
  ista: Huber D, Marchukov OV, Hammer HW, Volosniev A. 2021. Morphology of three-body
    quantum states from machine learning. New Journal of Physics. 23(6), 065009.
  mla: Huber, David, et al. “Morphology of Three-Body Quantum States from Machine
    Learning.” <i>New Journal of Physics</i>, vol. 23, no. 6, 065009, IOP Publishing,
    2021, doi:<a href="https://doi.org/10.1088/1367-2630/ac0576">10.1088/1367-2630/ac0576</a>.
  short: D. Huber, O.V. Marchukov, H.W. Hammer, A. Volosniev, New Journal of Physics
    23 (2021).
date_created: 2021-07-18T22:01:22Z
date_published: 2021-06-23T00:00:00Z
date_updated: 2026-04-02T14:01:49Z
day: '23'
ddc:
- '530'
department:
- _id: MiLe
doi: 10.1088/1367-2630/ac0576
ec_funded: 1
external_id:
  arxiv:
  - '2102.04961'
  isi:
  - '000664736300001'
file:
- access_level: open_access
  checksum: e39164ce7ea228d287cf8924e1a0f9fe
  content_type: application/pdf
  creator: cziletti
  date_created: 2021-07-19T11:47:16Z
  date_updated: 2021-07-19T11:47:16Z
  file_id: '9690'
  file_name: 2021_NewJPhys_Huber.pdf
  file_size: 3868445
  relation: main_file
  success: 1
file_date_updated: 2021-07-19T11:47:16Z
has_accepted_license: '1'
intvolume: '        23'
isi: 1
issue: '6'
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
publication: New Journal of Physics
publication_identifier:
  eissn:
  - 1367-2630
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
scopus_import: '1'
status: public
title: Morphology of three-body quantum states from machine learning
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: ba8df636-2132-11f1-aed0-ed93e2281fdd
volume: 23
year: '2021'
...
---
_id: '9696'
abstract:
- lang: eng
  text: Most water in the universe may be superionic, and its thermodynamic and transport
    properties are crucial for planetary science but difficult to probe experimentally
    or theoretically. We use machine learning and free energy methods to overcome
    the limitations of quantum mechanical simulations, and characterize hydrogen diffusion,
    superionic transitions, and phase behaviors of water at extreme conditions. We
    predict that a close-packed superionic phase with mixed stacking is stable over
    a wide temperature and pressure range, while a body-centered cubic phase is only
    thermodynamically stable in a small window but is kinetically favored. Our phase
    boundaries, which are consistent with the existing-albeit scarce-experimental
    observations, help resolve the fractions of insulating ice, different superionic
    phases, and liquid water inside of ice giants.
article_number: '2103.09035'
article_processing_charge: No
arxiv: 1
author:
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
- first_name: Mandy
  full_name: Bethkenhagen, Mandy
  last_name: Bethkenhagen
- first_name: Chris J.
  full_name: Pickard, Chris J.
  last_name: Pickard
- first_name: Sebastien
  full_name: Hamel, Sebastien
  last_name: Hamel
citation:
  ama: Cheng B, Bethkenhagen M, Pickard CJ, Hamel S. Predicting the phase behaviors
    of superionic water at planetary conditions. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2103.09035">10.48550/arXiv.2103.09035</a>
  apa: Cheng, B., Bethkenhagen, M., Pickard, C. J., &#38; Hamel, S. (n.d.). Predicting
    the phase behaviors of superionic water at planetary conditions. <i>arXiv</i>.
    <a href="https://doi.org/10.48550/arXiv.2103.09035">https://doi.org/10.48550/arXiv.2103.09035</a>
  chicago: Cheng, Bingqing, Mandy Bethkenhagen, Chris J. Pickard, and Sebastien Hamel.
    “Predicting the Phase Behaviors of Superionic Water at Planetary Conditions.”
    <i>ArXiv</i>, n.d. <a href="https://doi.org/10.48550/arXiv.2103.09035">https://doi.org/10.48550/arXiv.2103.09035</a>.
  ieee: B. Cheng, M. Bethkenhagen, C. J. Pickard, and S. Hamel, “Predicting the phase
    behaviors of superionic water at planetary conditions,” <i>arXiv</i>. .
  ista: Cheng B, Bethkenhagen M, Pickard CJ, Hamel S. Predicting the phase behaviors
    of superionic water at planetary conditions. arXiv, 2103.09035.
  mla: Cheng, Bingqing, et al. “Predicting the Phase Behaviors of Superionic Water
    at Planetary Conditions.” <i>ArXiv</i>, 2103.09035, doi:<a href="https://doi.org/10.48550/arXiv.2103.09035">10.48550/arXiv.2103.09035</a>.
  short: B. Cheng, M. Bethkenhagen, C.J. Pickard, S. Hamel, ArXiv (n.d.).
date_created: 2021-07-20T06:42:29Z
date_published: 2021-03-16T00:00:00Z
date_updated: 2025-06-26T11:49:07Z
day: '16'
doi: 10.48550/arXiv.2103.09035
extern: '1'
external_id:
  arxiv:
  - '2103.09035'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2103.09035
month: '03'
oa: 1
oa_version: Preprint
publication: arXiv
publication_status: submitted
related_material:
  record:
  - id: '19909'
    relation: later_version
    status: public
status: public
title: Predicting the phase behaviors of superionic water at planetary conditions
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2021'
...
---
_id: '9698'
abstract:
- lang: eng
  text: Machine learning models are poised to make a transformative impact on chemical
    sciences by dramatically accelerating computational algorithms and amplifying
    insights available from computational chemistry methods. However, achieving this
    requires a confluence and coaction of expertise in computer science and physical
    sciences. This review is written for new and experienced researchers working at
    the intersection of both fields. We first provide concise tutorials of computational
    chemistry and machine learning methods, showing how insights involving both can
    be achieved. We then follow with a critical review of noteworthy applications
    that demonstrate how computational chemistry and machine learning can be used
    together to provide insightful (and useful) predictions in molecular and materials
    modeling, retrosyntheses, catalysis, and drug design.
article_processing_charge: No
article_type: review
arxiv: 1
author:
- first_name: John A.
  full_name: Keith, John A.
  last_name: Keith
- first_name: Valentin
  full_name: Valentin Vassilev-Galindo, Valentin
  last_name: Valentin Vassilev-Galindo
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
- first_name: Stefan
  full_name: Chmiela, Stefan
  last_name: Chmiela
- first_name: Michael
  full_name: Gastegger, Michael
  last_name: Gastegger
- first_name: Klaus-Robert
  full_name: Müller, Klaus-Robert
  last_name: Müller
- first_name: Alexandre
  full_name: Tkatchenko, Alexandre
  last_name: Tkatchenko
citation:
  ama: Keith JA, Valentin Vassilev-Galindo V, Cheng B, et al. Combining machine learning
    and computational chemistry for predictive insights into chemical systems. <i>Chemical
    Reviews</i>. 2021;121(16):9816-9872. doi:<a href="https://doi.org/10.1021/acs.chemrev.1c00107">10.1021/acs.chemrev.1c00107</a>
  apa: Keith, J. A., Valentin Vassilev-Galindo, V., Cheng, B., Chmiela, S., Gastegger,
    M., Müller, K.-R., &#38; Tkatchenko, A. (2021). Combining machine learning and
    computational chemistry for predictive insights into chemical systems. <i>Chemical
    Reviews</i>. American Chemical Society. <a href="https://doi.org/10.1021/acs.chemrev.1c00107">https://doi.org/10.1021/acs.chemrev.1c00107</a>
  chicago: Keith, John A., Valentin Valentin Vassilev-Galindo, Bingqing Cheng, Stefan
    Chmiela, Michael Gastegger, Klaus-Robert Müller, and Alexandre Tkatchenko. “Combining
    Machine Learning and Computational Chemistry for Predictive Insights into Chemical
    Systems.” <i>Chemical Reviews</i>. American Chemical Society, 2021. <a href="https://doi.org/10.1021/acs.chemrev.1c00107">https://doi.org/10.1021/acs.chemrev.1c00107</a>.
  ieee: J. A. Keith <i>et al.</i>, “Combining machine learning and computational chemistry
    for predictive insights into chemical systems,” <i>Chemical Reviews</i>, vol.
    121, no. 16. American Chemical Society, pp. 9816–9872, 2021.
  ista: Keith JA, Valentin Vassilev-Galindo V, Cheng B, Chmiela S, Gastegger M, Müller
    K-R, Tkatchenko A. 2021. Combining machine learning and computational chemistry
    for predictive insights into chemical systems. Chemical Reviews. 121(16), 9816–9872.
  mla: Keith, John A., et al. “Combining Machine Learning and Computational Chemistry
    for Predictive Insights into Chemical Systems.” <i>Chemical Reviews</i>, vol.
    121, no. 16, American Chemical Society, 2021, pp. 9816–72, doi:<a href="https://doi.org/10.1021/acs.chemrev.1c00107">10.1021/acs.chemrev.1c00107</a>.
  short: J.A. Keith, V. Valentin Vassilev-Galindo, B. Cheng, S. Chmiela, M. Gastegger,
    K.-R. Müller, A. Tkatchenko, Chemical Reviews 121 (2021) 9816–9872.
date_created: 2021-07-20T11:18:37Z
date_published: 2021-07-07T00:00:00Z
date_updated: 2023-05-08T11:31:03Z
day: '07'
doi: 10.1021/acs.chemrev.1c00107
extern: '1'
external_id:
  arxiv:
  - '2102.06321'
intvolume: '       121'
issue: '16'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1021/acs.chemrev.1c00107
month: '07'
oa: 1
oa_version: Published Version
page: 9816-9872
publication: Chemical Reviews
publication_identifier:
  eissn:
  - 1520-6890
  issn:
  - 0009-2665
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Combining machine learning and computational chemistry for predictive insights
  into chemical systems
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 121
year: '2021'
...
---
OA_place: publisher
_id: '9733'
abstract:
- lang: eng
  text: This thesis is the result of the research carried out by the author during
    his PhD at IST Austria between 2017 and 2021. It mainly focuses on the Fröhlich
    polaron model, specifically to its regime of strong coupling. This model, which
    is rigorously introduced and discussed in the introduction, has been of great
    interest in condensed matter physics and field theory for more than eighty years.
    It is used to describe an electron interacting with the atoms of a solid material
    (the strength of this interaction is modeled by the presence of a coupling constant
    α in the Hamiltonian of the system). The particular regime examined here, which
    is mathematically described by considering the limit α →∞, displays many interesting
    features related to the emergence of classical behavior, which allows for a simplified
    effective description of the system under analysis. The properties, the range
    of validity and a quantitative analysis of the precision of such classical approximations
    are the main object of the present work. We specify our investigation to the study
    of the ground state energy of the system, its dynamics and its effective mass.
    For each of these problems, we provide in the introduction an overview of the
    previously known results and a detailed account of the original contributions
    by the author.
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Dario
  full_name: Feliciangeli, Dario
  id: 41A639AA-F248-11E8-B48F-1D18A9856A87
  last_name: Feliciangeli
  orcid: 0000-0003-0754-8530
citation:
  ama: Feliciangeli D. The polaron at strong coupling. 2021. doi:<a href="https://doi.org/10.15479/at:ista:9733">10.15479/at:ista:9733</a>
  apa: Feliciangeli, D. (2021). <i>The polaron at strong coupling</i>. Institute of
    Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:9733">https://doi.org/10.15479/at:ista:9733</a>
  chicago: Feliciangeli, Dario. “The Polaron at Strong Coupling.” Institute of Science
    and Technology Austria, 2021. <a href="https://doi.org/10.15479/at:ista:9733">https://doi.org/10.15479/at:ista:9733</a>.
  ieee: D. Feliciangeli, “The polaron at strong coupling,” Institute of Science and
    Technology Austria, 2021.
  ista: Feliciangeli D. 2021. The polaron at strong coupling. Institute of Science
    and Technology Austria.
  mla: Feliciangeli, Dario. <i>The Polaron at Strong Coupling</i>. Institute of Science
    and Technology Austria, 2021, doi:<a href="https://doi.org/10.15479/at:ista:9733">10.15479/at:ista:9733</a>.
  short: D. Feliciangeli, The Polaron at Strong Coupling, Institute of Science and
    Technology Austria, 2021.
corr_author: '1'
date_created: 2021-07-27T15:48:30Z
date_published: 2021-08-20T00:00:00Z
date_updated: 2026-04-08T06:59:50Z
day: '20'
ddc:
- '515'
- '519'
- '539'
degree_awarded: PhD
department:
- _id: GradSch
- _id: RoSe
- _id: JaMa
doi: 10.15479/at:ista:9733
ec_funded: 1
file:
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  date_created: 2021-08-19T14:06:35Z
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  file_id: '9945'
  file_name: thesis.7z
  file_size: 3771669
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file_date_updated: 2022-03-10T12:13:57Z
has_accepted_license: '1'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nd/4.0/
month: '08'
oa: 1
oa_version: Published Version
page: '180'
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: fc31cba2-9c52-11eb-aca3-ff467d239cd2
  grant_number: F6504
  name: Taming Complexity in Partial Differential Systems
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '9787'
    relation: part_of_dissertation
    status: public
  - id: '9792'
    relation: part_of_dissertation
    status: public
  - id: '9791'
    relation: part_of_dissertation
    status: public
  - id: '9781'
    relation: part_of_dissertation
    status: public
  - id: '9225'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Robert
  full_name: Seiringer, Robert
  id: 4AFD0470-F248-11E8-B48F-1D18A9856A87
  last_name: Seiringer
  orcid: 0000-0002-6781-0521
- first_name: Jan
  full_name: Maas, Jan
  id: 4C5696CE-F248-11E8-B48F-1D18A9856A87
  last_name: Maas
  orcid: 0000-0002-0845-1338
title: The polaron at strong coupling
tmp:
  image: /image/cc_by_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nd/4.0/legalcode
  name: Creative Commons Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0)
  short: CC BY-ND (4.0)
type: dissertation
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2021'
...
---
_id: '9746'
abstract:
- lang: eng
  text: Evolutionary adaptation is a major source of antibiotic resistance in bacterial
    pathogens. Evolution-informed therapy aims to constrain resistance by accounting
    for bacterial evolvability. Sequential treatments with antibiotics that target
    different bacterial processes were previously shown to limit adaptation through
    genetic resistance trade-offs and negative hysteresis. Treatment with homogeneous
    sets of antibiotics is generally viewed to be disadvantageous, as it should rapidly
    lead to cross-resistance. We here challenged this assumption by determining the
    evolutionary response of Pseudomonas aeruginosa to experimental sequential treatments
    involving both heterogenous and homogeneous antibiotic sets. To our surprise,
    we found that fast switching between only β-lactam antibiotics resulted in increased
    extinction of bacterial populations. We demonstrate that extinction is favored
    by low rates of spontaneous resistance emergence and low levels of spontaneous
    cross-resistance among the antibiotics in sequence. The uncovered principles may
    help to guide the optimized use of available antibiotics in highly potent, evolution-informed
    treatment designs.
acknowledgement: We would like to thank Leif Tueffers and João Botelho for discussions
  and suggestions as well as Kira Haas and Julia Bunk for technical support. We acknowledge
  financial support from the German Science Foundation (grant SCHU 1415/12-2 to HS,
  and funding under Germany’s Excellence Strategy EXC 2167–390884018 as well as the
  Research Training Group 2501 TransEvo to HS and SN), the Max Planck Society (IMPRS
  scholarship to AB; Max-Planck fellowship to HS), and the Leibniz Science Campus
  Evolutionary Medicine of the Lung (EvoLUNG, to HS and SN). This work was further
  supported by the German Science Foundation Research Infrastructure NGS_CC (project
  407495230) as part of the Next Generation Sequencing Competence Network (project
  423957469). NGS analyses were carried out at the Competence Centre for Genomic Analysis
  Kiel (CCGA Kiel).
article_number: e68876
article_processing_charge: No
article_type: original
author:
- first_name: Aditi
  full_name: Batra, Aditi
  last_name: Batra
- first_name: Roderich
  full_name: Römhild, Roderich
  id: 68E56E44-62B0-11EA-B963-444F3DDC885E
  last_name: Römhild
  orcid: 0000-0001-9480-5261
- first_name: Emilie
  full_name: Rousseau, Emilie
  last_name: Rousseau
- first_name: Sören
  full_name: Franzenburg, Sören
  last_name: Franzenburg
- first_name: Stefan
  full_name: Niemann, Stefan
  last_name: Niemann
- first_name: Hinrich
  full_name: Schulenburg, Hinrich
  last_name: Schulenburg
citation:
  ama: Batra A, Römhild R, Rousseau E, Franzenburg S, Niemann S, Schulenburg H. High
    potency of sequential therapy with only beta-lactam antibiotics. <i>eLife</i>.
    2021;10. doi:<a href="https://doi.org/10.7554/elife.68876">10.7554/elife.68876</a>
  apa: Batra, A., Römhild, R., Rousseau, E., Franzenburg, S., Niemann, S., &#38; Schulenburg,
    H. (2021). High potency of sequential therapy with only beta-lactam antibiotics.
    <i>ELife</i>. eLife Sciences Publications. <a href="https://doi.org/10.7554/elife.68876">https://doi.org/10.7554/elife.68876</a>
  chicago: Batra, Aditi, Roderich Römhild, Emilie Rousseau, Sören Franzenburg, Stefan
    Niemann, and Hinrich Schulenburg. “High Potency of Sequential Therapy with Only
    Beta-Lactam Antibiotics.” <i>ELife</i>. eLife Sciences Publications, 2021. <a
    href="https://doi.org/10.7554/elife.68876">https://doi.org/10.7554/elife.68876</a>.
  ieee: A. Batra, R. Römhild, E. Rousseau, S. Franzenburg, S. Niemann, and H. Schulenburg,
    “High potency of sequential therapy with only beta-lactam antibiotics,” <i>eLife</i>,
    vol. 10. eLife Sciences Publications, 2021.
  ista: Batra A, Römhild R, Rousseau E, Franzenburg S, Niemann S, Schulenburg H. 2021.
    High potency of sequential therapy with only beta-lactam antibiotics. eLife. 10,
    e68876.
  mla: Batra, Aditi, et al. “High Potency of Sequential Therapy with Only Beta-Lactam
    Antibiotics.” <i>ELife</i>, vol. 10, e68876, eLife Sciences Publications, 2021,
    doi:<a href="https://doi.org/10.7554/elife.68876">10.7554/elife.68876</a>.
  short: A. Batra, R. Römhild, E. Rousseau, S. Franzenburg, S. Niemann, H. Schulenburg,
    ELife 10 (2021).
date_created: 2021-07-28T13:36:57Z
date_published: 2021-07-28T00:00:00Z
date_updated: 2026-06-18T19:56:55Z
day: '28'
ddc:
- '570'
department:
- _id: CaGu
doi: 10.7554/elife.68876
external_id:
  isi:
  - '000692027800001'
  pmid:
  - '34318749'
intvolume: '        10'
isi: 1
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.7554/eLife.68876
month: '07'
oa: 1
oa_version: Published Version
pmid: 1
publication: eLife
publication_identifier:
  eissn:
  - 2050-084X
publication_status: published
publisher: eLife Sciences Publications
quality_controlled: '1'
scopus_import: '1'
status: public
title: High potency of sequential therapy with only beta-lactam antibiotics
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2021'
...
---
_id: '9759'
acknowledgement: The authors thank Inez Lam of Johns Hopkins University for valuable
  comments on an earlier version of the manuscript. We also thank the facilitators
  of the 2019–2020 eLife Community Ambassador program.
article_number: e1009124
article_processing_charge: Yes
article_type: letter_note
author:
- first_name: Michael John
  full_name: Bartlett, Michael John
  last_name: Bartlett
- first_name: Feyza N
  full_name: Arslan, Feyza N
  id: 49DA7910-F248-11E8-B48F-1D18A9856A87
  last_name: Arslan
  orcid: 0000-0001-5809-9566
- first_name: Adriana
  full_name: Bankston, Adriana
  last_name: Bankston
- first_name: Sarvenaz
  full_name: Sarabipour, Sarvenaz
  last_name: Sarabipour
citation:
  ama: Bartlett MJ, Arslan FN, Bankston A, Sarabipour S. Ten simple rules to improve
    academic work- life balance. <i>PLoS Computational Biology</i>. 2021;17(7). doi:<a
    href="https://doi.org/10.1371/journal.pcbi.1009124">10.1371/journal.pcbi.1009124</a>
  apa: Bartlett, M. J., Arslan, F. N., Bankston, A., &#38; Sarabipour, S. (2021).
    Ten simple rules to improve academic work- life balance. <i>PLoS Computational
    Biology</i>. Public Library of Science. <a href="https://doi.org/10.1371/journal.pcbi.1009124">https://doi.org/10.1371/journal.pcbi.1009124</a>
  chicago: Bartlett, Michael John, Feyza N Arslan, Adriana Bankston, and Sarvenaz
    Sarabipour. “Ten Simple Rules to Improve Academic Work- Life Balance.” <i>PLoS
    Computational Biology</i>. Public Library of Science, 2021. <a href="https://doi.org/10.1371/journal.pcbi.1009124">https://doi.org/10.1371/journal.pcbi.1009124</a>.
  ieee: M. J. Bartlett, F. N. Arslan, A. Bankston, and S. Sarabipour, “Ten simple
    rules to improve academic work- life balance,” <i>PLoS Computational Biology</i>,
    vol. 17, no. 7. Public Library of Science, 2021.
  ista: Bartlett MJ, Arslan FN, Bankston A, Sarabipour S. 2021. Ten simple rules to
    improve academic work- life balance. PLoS Computational Biology. 17(7), e1009124.
  mla: Bartlett, Michael John, et al. “Ten Simple Rules to Improve Academic Work-
    Life Balance.” <i>PLoS Computational Biology</i>, vol. 17, no. 7, e1009124, Public
    Library of Science, 2021, doi:<a href="https://doi.org/10.1371/journal.pcbi.1009124">10.1371/journal.pcbi.1009124</a>.
  short: M.J. Bartlett, F.N. Arslan, A. Bankston, S. Sarabipour, PLoS Computational
    Biology 17 (2021).
date_created: 2021-08-01T22:01:21Z
date_published: 2021-07-15T00:00:00Z
date_updated: 2025-07-10T12:02:02Z
day: '15'
ddc:
- '613'
department:
- _id: CaHe
doi: 10.1371/journal.pcbi.1009124
external_id:
  isi:
  - '000677713500008'
  pmid:
  - '34264932'
file:
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  checksum: e56d91f0eeadb36f143a90e2c1b3ab63
  content_type: application/pdf
  creator: cchlebak
  date_created: 2021-08-05T12:06:49Z
  date_updated: 2021-08-05T12:06:49Z
  file_id: '9771'
  file_name: 2021_PlosCompBio_Bartlett.pdf
  file_size: 693633
  relation: main_file
file_date_updated: 2021-08-05T12:06:49Z
has_accepted_license: '1'
intvolume: '        17'
isi: 1
issue: '7'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
pmid: 1
publication: PLoS Computational Biology
publication_identifier:
  eissn:
  - 1553-7358
  issn:
  - 1553-734X
publication_status: published
publisher: Public Library of Science
scopus_import: '1'
status: public
title: Ten simple rules to improve academic work- life balance
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: 17
year: '2021'
...
---
_id: '9761'
abstract:
- lang: eng
  text: 'The important roles of mitochondrial function and dysfunction in the process
    of neurodegeneration are widely acknowledged. Retinal ganglion cells (RGCs) appear
    to be a highly vulnerable neuronal cell type in the central nervous system with
    respect to mitochondrial dysfunction but the actual reasons for this are still
    incompletely understood. These cells have a unique circumstance where unmyelinated
    axons must bend nearly 90° to exit the eye and then cross a translaminar pressure
    gradient before becoming myelinated in the optic nerve. This region, the optic
    nerve head, contains some of the highest density of mitochondria present in these
    cells. Glaucoma represents a perfect storm of events occurring at this location,
    with a combination of changes in the translaminar pressure gradient and reassignment
    of the metabolic support functions of supporting glia, which appears to apply
    increased metabolic stress to the RGC axons leading to a failure of axonal transport
    mechanisms. However, RGCs themselves are also extremely sensitive to genetic mutations,
    particularly in genes affecting mitochondrial dynamics and mitochondrial clearance.
    These mutations, which systemically affect the mitochondria in every cell, often
    lead to an optic neuropathy as the sole pathologic defect in affected patients.
    This review summarizes knowledge of mitochondrial structure and function, the
    known energy demands of neurons in general, and places these in the context of
    normal and pathological characteristics of mitochondria attributed to RGCs. '
acknowledgement: The authors are grateful to Kazuya Oikawa and Gillian McLellan for
  generously sharing some of their data for this review, and to Janis Eells for helpful
  comments on the manuscript.
article_number: '1593'
article_processing_charge: Yes
article_type: original
author:
- first_name: Nicole A.
  full_name: Muench, Nicole A.
  last_name: Muench
- first_name: Sonia
  full_name: Patel, Sonia
  last_name: Patel
- first_name: Margaret E
  full_name: Maes, Margaret E
  id: 3838F452-F248-11E8-B48F-1D18A9856A87
  last_name: Maes
  orcid: 0000-0001-9642-1085
- first_name: Ryan J.
  full_name: Donahue, Ryan J.
  last_name: Donahue
- first_name: Akihiro
  full_name: Ikeda, Akihiro
  last_name: Ikeda
- first_name: Robert W.
  full_name: Nickells, Robert W.
  last_name: Nickells
citation:
  ama: Muench NA, Patel S, Maes ME, Donahue RJ, Ikeda A, Nickells RW. The influence
    of mitochondrial dynamics and function on retinal ganglion cell susceptibility
    in optic nerve disease. <i>Cells</i>. 2021;10(7). doi:<a href="https://doi.org/10.3390/cells10071593">10.3390/cells10071593</a>
  apa: Muench, N. A., Patel, S., Maes, M. E., Donahue, R. J., Ikeda, A., &#38; Nickells,
    R. W. (2021). The influence of mitochondrial dynamics and function on retinal
    ganglion cell susceptibility in optic nerve disease. <i>Cells</i>. MDPI. <a href="https://doi.org/10.3390/cells10071593">https://doi.org/10.3390/cells10071593</a>
  chicago: Muench, Nicole A., Sonia Patel, Margaret E Maes, Ryan J. Donahue, Akihiro
    Ikeda, and Robert W. Nickells. “The Influence of Mitochondrial Dynamics and Function
    on Retinal Ganglion Cell Susceptibility in Optic Nerve Disease.” <i>Cells</i>.
    MDPI, 2021. <a href="https://doi.org/10.3390/cells10071593">https://doi.org/10.3390/cells10071593</a>.
  ieee: N. A. Muench, S. Patel, M. E. Maes, R. J. Donahue, A. Ikeda, and R. W. Nickells,
    “The influence of mitochondrial dynamics and function on retinal ganglion cell
    susceptibility in optic nerve disease,” <i>Cells</i>, vol. 10, no. 7. MDPI, 2021.
  ista: Muench NA, Patel S, Maes ME, Donahue RJ, Ikeda A, Nickells RW. 2021. The influence
    of mitochondrial dynamics and function on retinal ganglion cell susceptibility
    in optic nerve disease. Cells. 10(7), 1593.
  mla: Muench, Nicole A., et al. “The Influence of Mitochondrial Dynamics and Function
    on Retinal Ganglion Cell Susceptibility in Optic Nerve Disease.” <i>Cells</i>,
    vol. 10, no. 7, 1593, MDPI, 2021, doi:<a href="https://doi.org/10.3390/cells10071593">10.3390/cells10071593</a>.
  short: N.A. Muench, S. Patel, M.E. Maes, R.J. Donahue, A. Ikeda, R.W. Nickells,
    Cells 10 (2021).
date_created: 2021-08-01T22:01:22Z
date_published: 2021-06-25T00:00:00Z
date_updated: 2026-04-02T13:56:24Z
day: '25'
ddc:
- '570'
department:
- _id: SaSi
doi: 10.3390/cells10071593
external_id:
  isi:
  - '000678193300001'
  pmid:
  - '34201955'
file:
- access_level: open_access
  checksum: e0497ce5c77fa3b65a538c7d6e0f6c66
  content_type: application/pdf
  creator: cziletti
  date_created: 2021-08-04T14:01:30Z
  date_updated: 2021-08-04T14:01:30Z
  file_id: '9768'
  file_name: 2021_Cells_Muench.pdf
  file_size: 4555611
  relation: main_file
  success: 1
file_date_updated: 2021-08-04T14:01:30Z
has_accepted_license: '1'
intvolume: '        10'
isi: 1
issue: '7'
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
pmid: 1
publication: Cells
publication_identifier:
  eissn:
  - 2073-4409
publication_status: published
publisher: MDPI
quality_controlled: '1'
scopus_import: '1'
status: public
title: The influence of mitochondrial dynamics and function on retinal ganglion cell
  susceptibility in optic nerve disease
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: ba8df636-2132-11f1-aed0-ed93e2281fdd
volume: 10
year: '2021'
...
---
_id: '9769'
abstract:
- lang: eng
  text: A few years ago, flow equations were introduced as a technique for calculating
    the ground-state energies of cold Bose gases with and without impurities. In this
    paper, we extend this approach to compute observables other than the energy. As
    an example, we calculate the densities, and phase fluctuations of one-dimensional
    Bose gases with one and two impurities. For a single mobile impurity, we use flow
    equations to validate the mean-field results obtained upon the Lee-Low-Pines transformation.
    We show that the mean-field approximation is accurate for all values of the boson-impurity
    interaction strength as long as the phase coherence length is much larger than
    the healing length of the condensate. For two static impurities, we calculate
    impurity-impurity interactions induced by the Bose gas. We find that leading order
    perturbation theory fails when boson-impurity interactions are stronger than boson-boson
    interactions. The mean-field approximation reproduces the flow equation results
    for all values of the boson-impurity interaction strength as long as boson-boson
    interactions are weak.
acknowledgement: We thank Matthias Heinz and Volker Karle for helpful comments on
  the manuscript; Zoran Ristivojevic for useful correspondence regarding mean-field
  calculations of induced impurity-impurity interactions; Fabian Grusdt for sharing
  with us the data for the densities presented in Ref. [14]. This work has received
  funding from the DFG Project No. 413495248 [VO 2437/1-1] (F. B., H.-W. H., A. G.
  V.) and European Union’s Horizon 2020 research and innovation programme under the
  Marie Skłodowska-Curie Grant Agreement No. 754411 (A. G. V.). M. L. acknowledges
  support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).
  H.-W.H. thanks the ECT* for hospitality during the workshop “Universal physics in
  Many-Body Quantum Systems – From Atoms to Quarks". This infrastructure is part of
  a project that has received funding from the European Union’s Horizon 2020 research
  and innovation programme under grant agreement No 824093. H.-W.H. was supported
  by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - Project-ID
  279384907 - SFB 1245.
article_number: '008'
article_processing_charge: Yes
article_type: original
arxiv: 1
author:
- first_name: Fabian
  full_name: Brauneis, Fabian
  last_name: Brauneis
- first_name: Hans-Werner
  full_name: Hammer, Hans-Werner
  last_name: Hammer
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
- first_name: Artem
  full_name: Volosniev, Artem
  id: 37D278BC-F248-11E8-B48F-1D18A9856A87
  last_name: Volosniev
  orcid: 0000-0003-0393-5525
citation:
  ama: 'Brauneis F, Hammer H-W, Lemeshko M, Volosniev A. Impurities in a one-dimensional
    Bose gas: The flow equation approach. <i>SciPost Physics</i>. 2021;11(1). doi:<a
    href="https://doi.org/10.21468/scipostphys.11.1.008">10.21468/scipostphys.11.1.008</a>'
  apa: 'Brauneis, F., Hammer, H.-W., Lemeshko, M., &#38; Volosniev, A. (2021). Impurities
    in a one-dimensional Bose gas: The flow equation approach. <i>SciPost Physics</i>.
    SciPost Foundation. <a href="https://doi.org/10.21468/scipostphys.11.1.008">https://doi.org/10.21468/scipostphys.11.1.008</a>'
  chicago: 'Brauneis, Fabian, Hans-Werner Hammer, Mikhail Lemeshko, and Artem Volosniev.
    “Impurities in a One-Dimensional Bose Gas: The Flow Equation Approach.” <i>SciPost
    Physics</i>. SciPost Foundation, 2021. <a href="https://doi.org/10.21468/scipostphys.11.1.008">https://doi.org/10.21468/scipostphys.11.1.008</a>.'
  ieee: 'F. Brauneis, H.-W. Hammer, M. Lemeshko, and A. Volosniev, “Impurities in
    a one-dimensional Bose gas: The flow equation approach,” <i>SciPost Physics</i>,
    vol. 11, no. 1. SciPost Foundation, 2021.'
  ista: 'Brauneis F, Hammer H-W, Lemeshko M, Volosniev A. 2021. Impurities in a one-dimensional
    Bose gas: The flow equation approach. SciPost Physics. 11(1), 008.'
  mla: 'Brauneis, Fabian, et al. “Impurities in a One-Dimensional Bose Gas: The Flow
    Equation Approach.” <i>SciPost Physics</i>, vol. 11, no. 1, 008, SciPost Foundation,
    2021, doi:<a href="https://doi.org/10.21468/scipostphys.11.1.008">10.21468/scipostphys.11.1.008</a>.'
  short: F. Brauneis, H.-W. Hammer, M. Lemeshko, A. Volosniev, SciPost Physics 11
    (2021).
date_created: 2021-08-04T15:00:55Z
date_published: 2021-07-13T00:00:00Z
date_updated: 2025-05-14T10:51:56Z
day: '13'
ddc:
- '530'
department:
- _id: MiLe
doi: 10.21468/scipostphys.11.1.008
ec_funded: 1
external_id:
  arxiv:
  - '2101.10958'
  isi:
  - '000680039500013'
file:
- access_level: open_access
  checksum: eaa847346b1a023d97bbb291779610ed
  content_type: application/pdf
  creator: asandaue
  date_created: 2021-08-10T11:44:59Z
  date_updated: 2021-08-10T11:44:59Z
  file_id: '9875'
  file_name: 2021_SciPostPhysics_Brauneis.pdf
  file_size: 1085300
  relation: main_file
  success: 1
file_date_updated: 2021-08-10T11:44:59Z
has_accepted_license: '1'
intvolume: '        11'
isi: 1
issue: '1'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 2688CF98-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '801770'
  name: 'Angulon: physics and applications of a new quasiparticle'
publication: SciPost Physics
publication_identifier:
  eissn:
  - 2542-4653
publication_status: published
publisher: SciPost Foundation
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Impurities in a one-dimensional Bose gas: The flow equation approach'
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: 11
year: '2021'
...
---
_id: '9770'
abstract:
- lang: eng
  text: We study an effective one-dimensional quantum model that includes friction
    and spin-orbit coupling (SOC), and show that the model exhibits spin polarization
    when both terms are finite. Most important, strong spin polarization can be observed
    even for moderate SOC, provided that the friction is strong. Our findings might
    help to explain the pronounced effect of chirality on spin distribution and transport
    in chiral molecules. In particular, our model implies static magnetic properties
    of a chiral molecule, which lead to Shiba-like states when a molecule is placed
    on a superconductor, in accordance with recent experimental data.
acknowledgement: "We thank Rafael Barfknecht for useful discussions. This work has
  received funding from the European Union’s Horizon 2020 research and innovation
  programme under the Marie Skłodowska-Curie Grant Agreement No. 754411 (A.G.\r\nand
  A.G.V.). M.L. acknowledges support by the European Research Council (ERC) Starting
  Grant No. 801770 (ANGULON). Y.P. and O.M. acknowledge funding from the Nidersachsen
  Ministry of Science and Culture, and from the\r\nAcademia Sinica Research Program.
  O.M. is thankful for support through the Harry de Jur Chair in Applied Science."
article_number: '024430'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Artem
  full_name: Volosniev, Artem
  id: 37D278BC-F248-11E8-B48F-1D18A9856A87
  last_name: Volosniev
  orcid: 0000-0003-0393-5525
- first_name: Hen
  full_name: Alpern, Hen
  last_name: Alpern
- first_name: Yossi
  full_name: Paltiel, Yossi
  last_name: Paltiel
- first_name: Oded
  full_name: Millo, Oded
  last_name: Millo
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
- first_name: Areg
  full_name: Ghazaryan, Areg
  id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87
  last_name: Ghazaryan
  orcid: 0000-0001-9666-3543
citation:
  ama: Volosniev A, Alpern H, Paltiel Y, Millo O, Lemeshko M, Ghazaryan A. Interplay
    between friction and spin-orbit coupling as a source of spin polarization. <i>Physical
    Review B</i>. 2021;104(2). doi:<a href="https://doi.org/10.1103/physrevb.104.024430">10.1103/physrevb.104.024430</a>
  apa: Volosniev, A., Alpern, H., Paltiel, Y., Millo, O., Lemeshko, M., &#38; Ghazaryan,
    A. (2021). Interplay between friction and spin-orbit coupling as a source of spin
    polarization. <i>Physical Review B</i>. American Physical Society. <a href="https://doi.org/10.1103/physrevb.104.024430">https://doi.org/10.1103/physrevb.104.024430</a>
  chicago: Volosniev, Artem, Hen Alpern, Yossi Paltiel, Oded Millo, Mikhail Lemeshko,
    and Areg Ghazaryan. “Interplay between Friction and Spin-Orbit Coupling as a Source
    of Spin Polarization.” <i>Physical Review B</i>. American Physical Society, 2021.
    <a href="https://doi.org/10.1103/physrevb.104.024430">https://doi.org/10.1103/physrevb.104.024430</a>.
  ieee: A. Volosniev, H. Alpern, Y. Paltiel, O. Millo, M. Lemeshko, and A. Ghazaryan,
    “Interplay between friction and spin-orbit coupling as a source of spin polarization,”
    <i>Physical Review B</i>, vol. 104, no. 2. American Physical Society, 2021.
  ista: Volosniev A, Alpern H, Paltiel Y, Millo O, Lemeshko M, Ghazaryan A. 2021.
    Interplay between friction and spin-orbit coupling as a source of spin polarization.
    Physical Review B. 104(2), 024430.
  mla: Volosniev, Artem, et al. “Interplay between Friction and Spin-Orbit Coupling
    as a Source of Spin Polarization.” <i>Physical Review B</i>, vol. 104, no. 2,
    024430, American Physical Society, 2021, doi:<a href="https://doi.org/10.1103/physrevb.104.024430">10.1103/physrevb.104.024430</a>.
  short: A. Volosniev, H. Alpern, Y. Paltiel, O. Millo, M. Lemeshko, A. Ghazaryan,
    Physical Review B 104 (2021).
date_created: 2021-08-04T15:05:32Z
date_published: 2021-07-01T00:00:00Z
date_updated: 2025-04-14T07:43:49Z
day: '01'
department:
- _id: MiLe
doi: 10.1103/physrevb.104.024430
ec_funded: 1
external_id:
  arxiv:
  - '2101.05173'
  isi:
  - '000678780800003'
intvolume: '       104'
isi: 1
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2101.05173
month: '07'
oa: 1
oa_version: Preprint
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 2688CF98-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '801770'
  name: 'Angulon: physics and applications of a new quasiparticle'
publication: Physical Review B
publication_identifier:
  eissn:
  - 2469-9969
  issn:
  - 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Interplay between friction and spin-orbit coupling as a source of spin polarization
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 104
year: '2021'
...
---
OA_place: publisher
OA_type: gold
_id: '9778'
abstract:
- lang: eng
  text: The hippocampal mossy fiber synapse is a key synapse of the trisynaptic circuit.
    Post-tetanic potentiation (PTP) is the most powerful form of plasticity at this
    synaptic connection. It is widely believed that mossy fiber PTP is an entirely
    presynaptic phenomenon, implying that PTP induction is input-specific, and requires
    neither activity of multiple inputs nor stimulation of postsynaptic neurons. To
    directly test cooperativity and associativity, we made paired recordings between
    single mossy fiber terminals and postsynaptic CA3 pyramidal neurons in rat brain
    slices. By stimulating non-overlapping mossy fiber inputs converging onto single
    CA3 neurons, we confirm that PTP is input-specific and non-cooperative. Unexpectedly,
    mossy fiber PTP exhibits anti-associative induction properties. EPSCs show only
    minimal PTP after combined pre- and postsynaptic high-frequency stimulation with
    intact postsynaptic Ca2+ signaling, but marked PTP in the absence of postsynaptic
    spiking and after suppression of postsynaptic Ca2+ signaling (10 mM EGTA). PTP
    is largely recovered by inhibitors of voltage-gated R- and L-type Ca2+ channels,
    group II mGluRs, and vacuolar-type H+-ATPase, suggesting the involvement of retrograde
    vesicular glutamate signaling. Transsynaptic regulation of PTP extends the repertoire
    of synaptic computations, implementing a brake on mossy fiber detonation and a
    “smart teacher” function of hippocampal mossy fiber synapses.
acknowledged_ssus:
- _id: SSU
acknowledgement: We thank Drs. Carolina Borges-Merjane and Jose Guzman for critically
  reading the manuscript, and Pablo Castillo for discussions. We are grateful to Alois
  Schlögl for help with analysis, Florian Marr for excellent technical assistance
  and cell reconstruction, Christina Altmutter for technical help, Eleftheria Kralli-Beller
  for manuscript editing, and the Scientific Service Units of IST Austria for support.
  This project received funding from the European Research Council (ERC) under the
  European Union’s Horizon 2020 research and innovation program (grant agreement No
  692692) and the Fond zur Förderung der Wissenschaftlichen Forschung (Z 312-B27,
  Wittgenstein award), both to P.J.
article_number: '2912'
article_processing_charge: Yes
article_type: original
author:
- first_name: David H
  full_name: Vandael, David H
  id: 3AE48E0A-F248-11E8-B48F-1D18A9856A87
  last_name: Vandael
  orcid: 0000-0001-7577-1676
- first_name: Yuji
  full_name: Okamoto, Yuji
  id: 3337E116-F248-11E8-B48F-1D18A9856A87
  last_name: Okamoto
  orcid: 0000-0003-0408-6094
- first_name: Peter M
  full_name: Jonas, Peter M
  id: 353C1B58-F248-11E8-B48F-1D18A9856A87
  last_name: Jonas
  orcid: 0000-0001-5001-4804
citation:
  ama: Vandael DH, Okamoto Y, Jonas PM. Transsynaptic modulation of presynaptic short-term
    plasticity in hippocampal mossy fiber synapses. <i>Nature Communications</i>.
    2021;12(1). doi:<a href="https://doi.org/10.1038/s41467-021-23153-5">10.1038/s41467-021-23153-5</a>
  apa: Vandael, D. H., Okamoto, Y., &#38; Jonas, P. M. (2021). Transsynaptic modulation
    of presynaptic short-term plasticity in hippocampal mossy fiber synapses. <i>Nature
    Communications</i>. Springer. <a href="https://doi.org/10.1038/s41467-021-23153-5">https://doi.org/10.1038/s41467-021-23153-5</a>
  chicago: Vandael, David H, Yuji Okamoto, and Peter M Jonas. “Transsynaptic Modulation
    of Presynaptic Short-Term Plasticity in Hippocampal Mossy Fiber Synapses.” <i>Nature
    Communications</i>. Springer, 2021. <a href="https://doi.org/10.1038/s41467-021-23153-5">https://doi.org/10.1038/s41467-021-23153-5</a>.
  ieee: D. H. Vandael, Y. Okamoto, and P. M. Jonas, “Transsynaptic modulation of presynaptic
    short-term plasticity in hippocampal mossy fiber synapses,” <i>Nature Communications</i>,
    vol. 12, no. 1. Springer, 2021.
  ista: Vandael DH, Okamoto Y, Jonas PM. 2021. Transsynaptic modulation of presynaptic
    short-term plasticity in hippocampal mossy fiber synapses. Nature Communications.
    12(1), 2912.
  mla: Vandael, David H., et al. “Transsynaptic Modulation of Presynaptic Short-Term
    Plasticity in Hippocampal Mossy Fiber Synapses.” <i>Nature Communications</i>,
    vol. 12, no. 1, 2912, Springer, 2021, doi:<a href="https://doi.org/10.1038/s41467-021-23153-5">10.1038/s41467-021-23153-5</a>.
  short: D.H. Vandael, Y. Okamoto, P.M. Jonas, Nature Communications 12 (2021).
corr_author: '1'
date_created: 2021-08-06T07:22:55Z
date_published: 2021-05-18T00:00:00Z
date_updated: 2025-06-12T06:28:45Z
day: '18'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.1038/s41467-021-23153-5
ec_funded: 1
external_id:
  isi:
  - '000655481800014'
  pmid:
  - '34006874'
file:
- access_level: open_access
  checksum: 6036a8cdae95e1707c2a04d54e325ff4
  content_type: application/pdf
  creator: kschuh
  date_created: 2021-12-17T11:34:50Z
  date_updated: 2021-12-17T11:34:50Z
  file_id: '10563'
  file_name: 2021_NatureCommunications_Vandael.pdf
  file_size: 3108845
  relation: main_file
  success: 1
file_date_updated: 2021-12-17T11:34:50Z
has_accepted_license: '1'
intvolume: '        12'
isi: 1
issue: '1'
keyword:
- general physics and astronomy
- general biochemistry
- genetics and molecular biology
- general chemistry
language:
- iso: eng
month: '05'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: 25B7EB9E-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '692692'
  name: Biophysics and circuit function of a giant cortical glutamatergic synapse
- _id: 25C5A090-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z00312
  name: Synaptic communication in neuronal microcircuits
publication: Nature Communications
publication_identifier:
  issn:
  - 2041-1723
publication_status: published
publisher: Springer
quality_controlled: '1'
related_material:
  link:
  - description: News on IST Homepage
    relation: press_release
    url: https://ist.ac.at/en/news/synaptic-transmission-not-a-one-way-street/
scopus_import: '1'
status: public
title: Transsynaptic modulation of presynaptic short-term plasticity in hippocampal
  mossy fiber synapses
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: 12
year: '2021'
...
---
_id: '9787'
abstract:
- lang: eng
  text: We investigate the Fröhlich polaron model on a three-dimensional torus, and
    give a proof of the second-order quantum corrections to its ground-state energy
    in the strong-coupling limit. Compared to previous work in the confined case,
    the translational symmetry (and its breaking in the Pekar approximation) makes
    the analysis substantially more challenging.
acknowledgement: "Funding from the European Union’s Horizon 2020 research and innovation
  programme under the ERC grant agreement No 694227 is gratefully acknowledged. We
  would also like to thank Rupert Frank for many helpful discussions, especially related
  to the Gross coordinate transformation defined in Def. 4.1.\r\n"
article_number: '2101.12566'
article_processing_charge: No
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: Robert
  full_name: Seiringer, Robert
  id: 4AFD0470-F248-11E8-B48F-1D18A9856A87
  last_name: Seiringer
  orcid: 0000-0002-6781-0521
citation:
  ama: 'Feliciangeli D, Seiringer R. The strongly coupled polaron on the torus: Quantum
    corrections to the Pekar asymptotics. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2101.12566">10.48550/arXiv.2101.12566</a>'
  apa: 'Feliciangeli, D., &#38; Seiringer, R. (n.d.). The strongly coupled polaron
    on the torus: Quantum corrections to the Pekar asymptotics. <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2101.12566">https://doi.org/10.48550/arXiv.2101.12566</a>'
  chicago: 'Feliciangeli, Dario, and Robert Seiringer. “The Strongly Coupled Polaron
    on the Torus: Quantum Corrections to the Pekar Asymptotics.” <i>ArXiv</i>, n.d.
    <a href="https://doi.org/10.48550/arXiv.2101.12566">https://doi.org/10.48550/arXiv.2101.12566</a>.'
  ieee: 'D. Feliciangeli and R. Seiringer, “The strongly coupled polaron on the torus:
    Quantum corrections to the Pekar asymptotics,” <i>arXiv</i>. .'
  ista: 'Feliciangeli D, Seiringer R. The strongly coupled polaron on the torus: Quantum
    corrections to the Pekar asymptotics. arXiv, 2101.12566.'
  mla: 'Feliciangeli, Dario, and Robert Seiringer. “The Strongly Coupled Polaron on
    the Torus: Quantum Corrections to the Pekar Asymptotics.” <i>ArXiv</i>, 2101.12566,
    doi:<a href="https://doi.org/10.48550/arXiv.2101.12566">10.48550/arXiv.2101.12566</a>.'
  short: D. Feliciangeli, R. Seiringer, ArXiv (n.d.).
corr_author: '1'
date_created: 2021-08-06T08:25:57Z
date_published: 2021-02-01T00:00:00Z
date_updated: 2026-04-08T06:59:49Z
day: '01'
ddc:
- '510'
department:
- _id: RoSe
doi: 10.48550/arXiv.2101.12566
ec_funded: 1
external_id:
  arxiv:
  - '2101.12566'
has_accepted_license: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2101.12566
month: '02'
oa: 1
oa_version: Preprint
project:
- _id: 25C6DC12-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '694227'
  name: Analysis of quantum many-body systems
publication: arXiv
publication_status: draft
related_material:
  record:
  - id: '10224'
    relation: later_version
    status: public
  - id: '9733'
    relation: dissertation_contains
    status: public
status: public
title: 'The strongly coupled polaron on the torus: Quantum corrections to the Pekar
  asymptotics'
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: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2021'
...
---
OA_place: repository
_id: '9791'
abstract:
- lang: eng
  text: We provide a definition of the effective mass for the classical polaron described
    by the Landau-Pekar equations. It is based on a novel variational principle, minimizing
    the energy functional over states with given (initial) velocity. The resulting
    formula for the polaron's effective mass agrees with the prediction by Landau
    and Pekar.
acknowledgement: We thank Herbert Spohn for helpful comments. Funding from the European
  Union’s Horizon 2020 research and innovation programme under the ERC grant agreement
  No. 694227 (D.F. and R.S.) and under the Marie Skłodowska-Curie Grant Agreement
  No. 754411 (S.R.) is gratefully acknowledged..
article_number: '2107.03720 '
article_processing_charge: No
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: Simone Anna Elvira
  full_name: Rademacher, Simone Anna Elvira
  id: 856966FE-A408-11E9-977E-802DE6697425
  last_name: Rademacher
  orcid: 0000-0001-5059-4466
- first_name: Robert
  full_name: Seiringer, Robert
  id: 4AFD0470-F248-11E8-B48F-1D18A9856A87
  last_name: Seiringer
  orcid: 0000-0002-6781-0521
citation:
  ama: Feliciangeli D, Rademacher SAE, Seiringer R. The effective mass problem for
    the Landau-Pekar equations. <i>arXiv</i>. doi:<a href="https://doi.org/10.48550/arXiv.2107.03720">10.48550/arXiv.2107.03720</a>
  apa: Feliciangeli, D., Rademacher, S. A. E., &#38; Seiringer, R. (n.d.). The effective
    mass problem for the Landau-Pekar equations. <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2107.03720">https://doi.org/10.48550/arXiv.2107.03720</a>
  chicago: Feliciangeli, Dario, Simone Anna Elvira Rademacher, and Robert Seiringer.
    “The Effective Mass Problem for the Landau-Pekar Equations.” <i>ArXiv</i>, n.d.
    <a href="https://doi.org/10.48550/arXiv.2107.03720">https://doi.org/10.48550/arXiv.2107.03720</a>.
  ieee: D. Feliciangeli, S. A. E. Rademacher, and R. Seiringer, “The effective mass
    problem for the Landau-Pekar equations,” <i>arXiv</i>. .
  ista: Feliciangeli D, Rademacher SAE, Seiringer R. The effective mass problem for
    the Landau-Pekar equations. arXiv, 2107.03720.
  mla: Feliciangeli, Dario, et al. “The Effective Mass Problem for the Landau-Pekar
    Equations.” <i>ArXiv</i>, 2107.03720, doi:<a href="https://doi.org/10.48550/arXiv.2107.03720">10.48550/arXiv.2107.03720</a>.
  short: D. Feliciangeli, S.A.E. Rademacher, R. Seiringer, ArXiv (n.d.).
corr_author: '1'
date_created: 2021-08-06T08:49:45Z
date_published: 2021-07-08T00:00:00Z
date_updated: 2026-04-08T06:59:49Z
day: '08'
ddc:
- '510'
department:
- _id: RoSe
doi: 10.48550/arXiv.2107.03720
ec_funded: 1
external_id:
  arxiv:
  - '2107.03720'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2107.03720
month: '07'
oa: 1
oa_version: Preprint
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: 25C6DC12-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '694227'
  name: Analysis of quantum many-body systems
publication: arXiv
publication_status: draft
related_material:
  record:
  - id: '10755'
    relation: later_version
    status: public
  - id: '9733'
    relation: dissertation_contains
    status: public
status: public
title: The effective mass problem for the Landau-Pekar equations
type: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2021'
...
---
_id: '9792'
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 careful 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 thanks 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. Finally, the authors
  also thanks J. Maas and R. Seiringer for their feedback and useful comments to a
  first draft of the article.  L.P. acknowledges support by the Austrian Science Fund
  (FWF), grants No W1245 and NoF65. D.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 European
  Research Council under H2020/MSCA-IF “OTmeetsDFT” [grant ID: 795942].'
article_number: '2106.11217'
article_processing_charge: No
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>arXiv</i>.
    doi:<a href="https://doi.org/10.48550/arXiv.2106.11217">10.48550/arXiv.2106.11217</a>
  apa: Feliciangeli, D., Gerolin, A., &#38; Portinale, L. (n.d.). A non-commutative
    entropic optimal transport approach to quantum composite systems at positive temperature.
    <i>arXiv</i>. <a href="https://doi.org/10.48550/arXiv.2106.11217">https://doi.org/10.48550/arXiv.2106.11217</a>
  chicago: Feliciangeli, Dario, Augusto Gerolin, and Lorenzo Portinale. “A Non-Commutative
    Entropic Optimal Transport Approach to Quantum Composite Systems at Positive Temperature.”
    <i>ArXiv</i>, n.d. <a href="https://doi.org/10.48550/arXiv.2106.11217">https://doi.org/10.48550/arXiv.2106.11217</a>.
  ieee: D. Feliciangeli, A. Gerolin, and L. Portinale, “A non-commutative entropic
    optimal transport approach to quantum composite systems at positive temperature,”
    <i>arXiv</i>. .
  ista: Feliciangeli D, Gerolin A, Portinale L. A non-commutative entropic optimal
    transport approach to quantum composite systems at positive temperature. arXiv,
    2106.11217.
  mla: Feliciangeli, Dario, et al. “A Non-Commutative Entropic Optimal Transport Approach
    to Quantum Composite Systems at Positive Temperature.” <i>ArXiv</i>, 2106.11217,
    doi:<a href="https://doi.org/10.48550/arXiv.2106.11217">10.48550/arXiv.2106.11217</a>.
  short: D. Feliciangeli, A. Gerolin, L. Portinale, ArXiv (n.d.).
date_created: 2021-08-06T09:07:12Z
date_published: 2021-07-21T00:00:00Z
date_updated: 2026-04-08T07:00:03Z
day: '21'
ddc:
- '510'
department:
- _id: RoSe
- _id: JaMa
doi: 10.48550/arXiv.2106.11217
ec_funded: 1
external_id:
  arxiv:
  - '2106.11217'
has_accepted_license: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2106.11217
month: '07'
oa: 1
oa_version: Preprint
project:
- _id: 25C6DC12-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '694227'
  name: Analysis of quantum many-body systems
- _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
publication: arXiv
publication_status: draft
related_material:
  record:
  - id: '12911'
    relation: later_version
    status: public
  - id: '9733'
    relation: dissertation_contains
    status: public
  - id: '10030'
    relation: dissertation_contains
    status: public
status: public
title: A non-commutative entropic optimal transport approach to quantum composite
  systems at positive temperature
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: preprint
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2021'
...
---
_id: '9793'
abstract:
- lang: eng
  text: Astrocytes extensively infiltrate the neuropil to regulate critical aspects
    of synaptic development and function. This process is regulated by transcellular
    interactions between astrocytes and neurons via cell adhesion molecules. How astrocytes
    coordinate developmental processes among one another to parse out the synaptic
    neuropil and form non-overlapping territories is unknown. Here we identify a molecular
    mechanism regulating astrocyte-astrocyte interactions during development to coordinate
    astrocyte morphogenesis and gap junction coupling. We show that hepaCAM, a disease-linked,
    astrocyte-enriched cell adhesion molecule, regulates astrocyte competition for
    territory and morphological complexity in the developing mouse cortex. Furthermore,
    conditional deletion of Hepacam from developing astrocytes significantly impairs
    gap junction coupling between astrocytes and disrupts the balance between synaptic
    excitation and inhibition. Mutations in HEPACAM cause megalencephalic leukoencephalopathy
    with subcortical cysts in humans. Therefore, our findings suggest that disruption
    of astrocyte self-organization mechanisms could be an underlying cause of neural
    pathology.
acknowledgement: This work was supported by the National Institutes of Health (R01
  DA047258 and R01 NS102237 to C.E., F32 NS100392 to K.T.B.) and the Holland-Trice
  Brain Research Award (to C.E.). K.T.B. was supported by postdoctoral fellowships
  from the Foerster-Bernstein Family and The Hartwell Foundation. The Hippenmeyer
  lab was supported by the European Research Council (ERC) under the European Union’s
  Horizon 2020 research and innovations program (725780 LinPro) to S.H. R.E. was supported
  by Ministerio de Ciencia y Tecnología (RTI2018-093493-B-I00). We thank the Duke
  Light Microscopy Core Facility, the Duke Transgenic Mouse Facility, Dr. U. Schulte
  for assistance with proteomic experiments, and Dr. D. Silver for critical review
  of the manuscript. Cartoon elements of figure panels were created using BioRender.com.
article_processing_charge: No
article_type: original
author:
- first_name: Katherine T.
  full_name: Baldwin, Katherine T.
  last_name: Baldwin
- first_name: Christabel X.
  full_name: Tan, Christabel X.
  last_name: Tan
- first_name: Samuel T.
  full_name: Strader, Samuel T.
  last_name: Strader
- first_name: Changyu
  full_name: Jiang, Changyu
  last_name: Jiang
- first_name: Justin T.
  full_name: Savage, Justin T.
  last_name: Savage
- first_name: Xabier
  full_name: Elorza-Vidal, Xabier
  last_name: Elorza-Vidal
- first_name: Ximena
  full_name: Contreras, Ximena
  id: 475990FE-F248-11E8-B48F-1D18A9856A87
  last_name: Contreras
- first_name: Thomas
  full_name: Rülicke, Thomas
  last_name: Rülicke
- first_name: Simon
  full_name: Hippenmeyer, Simon
  id: 37B36620-F248-11E8-B48F-1D18A9856A87
  last_name: Hippenmeyer
  orcid: 0000-0003-2279-1061
- first_name: Raúl
  full_name: Estévez, Raúl
  last_name: Estévez
- first_name: Ru-Rong
  full_name: Ji, Ru-Rong
  last_name: Ji
- first_name: Cagla
  full_name: Eroglu, Cagla
  last_name: Eroglu
citation:
  ama: Baldwin KT, Tan CX, Strader ST, et al. HepaCAM controls astrocyte self-organization
    and coupling. <i>Neuron</i>. 2021;109(15):2427-2442.e10. doi:<a href="https://doi.org/10.1016/j.neuron.2021.05.025">10.1016/j.neuron.2021.05.025</a>
  apa: Baldwin, K. T., Tan, C. X., Strader, S. T., Jiang, C., Savage, J. T., Elorza-Vidal,
    X., … Eroglu, C. (2021). HepaCAM controls astrocyte self-organization and coupling.
    <i>Neuron</i>. Elsevier. <a href="https://doi.org/10.1016/j.neuron.2021.05.025">https://doi.org/10.1016/j.neuron.2021.05.025</a>
  chicago: Baldwin, Katherine T., Christabel X. Tan, Samuel T. Strader, Changyu Jiang,
    Justin T. Savage, Xabier Elorza-Vidal, Ximena Contreras, et al. “HepaCAM Controls
    Astrocyte Self-Organization and Coupling.” <i>Neuron</i>. Elsevier, 2021. <a href="https://doi.org/10.1016/j.neuron.2021.05.025">https://doi.org/10.1016/j.neuron.2021.05.025</a>.
  ieee: K. T. Baldwin <i>et al.</i>, “HepaCAM controls astrocyte self-organization
    and coupling,” <i>Neuron</i>, vol. 109, no. 15. Elsevier, p. 2427–2442.e10, 2021.
  ista: Baldwin KT, Tan CX, Strader ST, Jiang C, Savage JT, Elorza-Vidal X, Contreras
    X, Rülicke T, Hippenmeyer S, Estévez R, Ji R-R, Eroglu C. 2021. HepaCAM controls
    astrocyte self-organization and coupling. Neuron. 109(15), 2427–2442.e10.
  mla: Baldwin, Katherine T., et al. “HepaCAM Controls Astrocyte Self-Organization
    and Coupling.” <i>Neuron</i>, vol. 109, no. 15, Elsevier, 2021, p. 2427–2442.e10,
    doi:<a href="https://doi.org/10.1016/j.neuron.2021.05.025">10.1016/j.neuron.2021.05.025</a>.
  short: K.T. Baldwin, C.X. Tan, S.T. Strader, C. Jiang, J.T. Savage, X. Elorza-Vidal,
    X. Contreras, T. Rülicke, S. Hippenmeyer, R. Estévez, R.-R. Ji, C. Eroglu, Neuron
    109 (2021) 2427–2442.e10.
date_created: 2021-08-06T09:08:25Z
date_published: 2021-08-04T00:00:00Z
date_updated: 2026-06-18T19:57:22Z
day: '04'
ddc:
- '570'
department:
- _id: SiHi
doi: 10.1016/j.neuron.2021.05.025
ec_funded: 1
external_id:
  isi:
  - '000692851900010'
  pmid:
  - '34171291'
intvolume: '       109'
isi: 1
issue: '15'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1016/j.neuron.2021.05.025
month: '08'
oa: 1
oa_version: Published Version
page: 2427-2442.e10
pmid: 1
project:
- _id: 260018B0-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '725780'
  name: Principles of Neural Stem Cell Lineage Progression in Cerebral Cortex Development
publication: Neuron
publication_identifier:
  eissn:
  - 1097-4199
  issn:
  - 0896-6273
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: HepaCAM controls astrocyte self-organization and coupling
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 109
year: '2021'
...
