[{"author":[{"full_name":"Naik, Suyash","first_name":"Suyash","last_name":"Naik","id":"2C0B105C-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-8421-5508"},{"last_name":"Keta","full_name":"Keta, Yann-Edwin","first_name":"Yann-Edwin"},{"last_name":"Pranjic-Ferscha","id":"4362B3C2-F248-11E8-B48F-1D18A9856A87","full_name":"Pranjic-Ferscha, Kornelija","first_name":"Kornelija"},{"first_name":"Edouard B","full_name":"Hannezo, Edouard B","orcid":"0000-0001-6005-1561","id":"3A9DB764-F248-11E8-B48F-1D18A9856A87","last_name":"Hannezo"},{"full_name":"Henkes, Silke","first_name":"Silke","last_name":"Henkes"},{"full_name":"Heisenberg, Carl-Philipp J","first_name":"Carl-Philipp J","id":"39427864-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-0912-4566","last_name":"Heisenberg"}],"year":"2025","date_created":"2025-10-14T07:25:27Z","license":"https://creativecommons.org/licenses/by-nd/4.0/","corr_author":"1","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1101/2025.02.14.638262"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"short":"S. Naik, Y.-E. Keta, K. Pranjic-Ferscha, E.B. Hannezo, S. Henkes, C.-P.J. Heisenberg, BioRxiv (n.d.).","apa":"Naik, S., Keta, Y.-E., Pranjic-Ferscha, K., Hannezo, E. B., Henkes, S., & Heisenberg, C.-P. J. (n.d.). Keratins coordinate tissue spreading by balancing spreading forces with tissue material properties. bioRxiv. https://doi.org/10.1101/2025.02.14.638262","ieee":"S. Naik, Y.-E. Keta, K. Pranjic-Ferscha, E. B. Hannezo, S. Henkes, and C.-P. J. Heisenberg, “Keratins coordinate tissue spreading by balancing spreading forces with tissue material properties,” bioRxiv. .","ista":"Naik S, Keta Y-E, Pranjic-Ferscha K, Hannezo EB, Henkes S, Heisenberg C-PJ. Keratins coordinate tissue spreading by balancing spreading forces with tissue material properties. bioRxiv, 10.1101/2025.02.14.638262.","ama":"Naik S, Keta Y-E, Pranjic-Ferscha K, Hannezo EB, Henkes S, Heisenberg C-PJ. Keratins coordinate tissue spreading by balancing spreading forces with tissue material properties. bioRxiv. doi:10.1101/2025.02.14.638262","mla":"Naik, Suyash, et al. “Keratins Coordinate Tissue Spreading by Balancing Spreading Forces with Tissue Material Properties.” BioRxiv, doi:10.1101/2025.02.14.638262.","chicago":"Naik, Suyash, Yann-Edwin Keta, Kornelija Pranjic-Ferscha, Edouard B Hannezo, Silke Henkes, and Carl-Philipp J Heisenberg. “Keratins Coordinate Tissue Spreading by Balancing Spreading Forces with Tissue Material Properties.” BioRxiv, n.d. https://doi.org/10.1101/2025.02.14.638262."},"das_tickbox":"1","fulldoi":"https://doi.org/10.1101/2025.02.14.638262","month":"02","oa_version":"Preprint","article_processing_charge":"No","publication":"bioRxiv","date_updated":"2026-07-29T10:33:31Z","related_material":{"record":[{"relation":"dissertation_contains","id":"20441","status":"public"},{"status":"public","id":"22608","relation":"later_version"}]},"status":"public","type":"preprint","tmp":{"image":"/image/cc_by_nd.png","name":"Creative Commons Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0)","short":"CC BY-ND (4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nd/4.0/legalcode"},"doi":"10.1101/2025.02.14.638262","publication_status":"draft","date_published":"2025-02-17T00:00:00Z","_id":"20465","language":[{"iso":"eng"}],"day":"17","department":[{"_id":"CaHe"},{"_id":"EdHa"}],"abstract":[{"lang":"eng","text":"For tissues to spread, they must be deformable while maintaining their structural integrity. How these opposing requirements are balanced within spreading tissues is not yet well understood. Here, we show that keratin intermediate filaments function in epithelial spreading by adapting tissue mechanical resilience to the stresses arising in the tissue during the spreading process. By analysing the expansion of the enveloping cell layer (EVL) over the large yolk cell in early zebrafish embryos in vivo, we found that keratin network maturation in EVL cells is promoted by stresses building up within the spreading tissue. Through genetic interference and tissue rheology experiments, complemented by a vertex model with mechanochemical feedback, we demonstrate that stress-induced keratin network maturation in the EVL increases tissue viscosity, which is essential for preventing tissue rupture. Interestingly, keratins are also required in the yolk cell for mechanosensitive actomyosin network contraction and flow, the force-generating processes pulling the EVL. These dual mechanosensitive functions of keratins enable a balance between pulling force production in the yolk cell and the mechanical resilience of the EVL against stresses generated by these pulling forces, thereby ensuring uniform and robust tissue spreading."}],"oa":1,"title":"Keratins coordinate tissue spreading by balancing spreading forces with tissue material properties","OA_place":"repository"},{"intvolume":" 8","file":[{"content_type":"application/pdf","relation":"main_file","file_size":1588155,"creator":"dernst","success":1,"checksum":"b8b3c1abe7048a09b920082a37e786a5","file_id":"20675","file_name":"2025_CommunicationsBiology_Serin.pdf","date_updated":"2025-11-24T09:12:19Z","access_level":"open_access","date_created":"2025-11-24T09:12:19Z"}],"DOAJ_listed":"1","citation":{"short":"E. Serin, K. Ritter, G. Schumann, T. Banaschewski, A. Marquand, H. Walter, G. Ogoh, B.C. Stahl, R. Brandlistuen, T. Schikowski, A.H. Young, Y. Xinyang, Z. Zhang, K. Agunbiade, D. Chen, S. Desrivières, N. Clinton, P. Thompson, V. Köhler, A. Schwalber, V.D. Calhoun, X. Chang, Y. Zhang, Y. Li, Y. Dai, J. Yuan, Y. Xia, T. Jia, P. Renner, S. Hese, B. Spanlang, C. Pearmund, A.P. Athanasiadis, S. Petkoski, V. Jirsa, K. Schmitt, J.H. Wilbertz, M. Patraskaki, P. Sommer, S. Heilmann-Heimbach, C.M. Mathey, A.J. Miller, I. Claus, M.M. Nöthen, P. Hoffmann, A.J. Forstner, A. Pastor, J. Gallego, R. Itatani, F. Eiroa-Orosa, G. Feixas, M. Slater, G. Novarino, S.J. Böttger, M. Tschorn, M. Rapp, H. Ask, R. Kjelkenes, S. Fernandez, D. Van Der Meer, L.T. Westlye, O.A. Andreassen, R. Aden, B. Seefried, F. Nees, M. Neidhart, A. Stringaris, E. Schwarz, N. Holz, H. Tost, A. Meyer-Lindenberg, N. Christmann, K. Janson, K. Schepanski, T. Schütz, U.H. Taron, R. Eils, J.C. Roy, T.A. Lett, H. Kebir, E. Polemiti, E. Hitchen, M. Jentsch, E. Serin, A. Bernas, N. Vaidya, S. Twardziok, M. Ralser, A. Heinz, G. Schumann, Communications Biology 8 (2025).","ieee":"E. Serin et al., “Generating synthetic task-based brain fingerprints for population neuroscience using deep learning,” Communications Biology, vol. 8. Springer Nature, 2025.","ista":"Serin E, Ritter K, Schumann G, Banaschewski T, Marquand A, Walter H, Ogoh G, Stahl BC, Brandlistuen R, Schikowski T, Young AH, Xinyang Y, Zhang Z, Agunbiade K, Chen D, Desrivières S, Clinton N, Thompson P, Köhler V, Schwalber A, Calhoun VD, Chang X, Zhang Y, Li Y, Dai Y, Yuan J, Xia Y, Jia T, Renner P, Hese S, Spanlang B, Pearmund C, Athanasiadis AP, Petkoski S, Jirsa V, Schmitt K, Wilbertz JH, Patraskaki M, Sommer P, Heilmann-Heimbach S, Mathey CM, Miller AJ, Claus I, Nöthen MM, Hoffmann P, Forstner AJ, Pastor A, Gallego J, Itatani R, Eiroa-Orosa F, Feixas G, Slater M, Novarino G, Böttger SJ, Tschorn M, Rapp M, Ask H, Kjelkenes R, Fernandez S, Van Der Meer D, Westlye LT, Andreassen OA, Aden R, Seefried B, Nees F, Neidhart M, Stringaris A, Schwarz E, Holz N, Tost H, Meyer-Lindenberg A, Christmann N, Janson K, Schepanski K, Schütz T, Taron UH, Eils R, Roy JC, Lett TA, Kebir H, Polemiti E, Hitchen E, Jentsch M, Serin E, Bernas A, Vaidya N, Twardziok S, Ralser M, Heinz A, Schumann G. 2025. Generating synthetic task-based brain fingerprints for population neuroscience using deep learning. Communications Biology. 8, 1572.","apa":"Serin, E., Ritter, K., Schumann, G., Banaschewski, T., Marquand, A., Walter, H., … Schumann, G. (2025). Generating synthetic task-based brain fingerprints for population neuroscience using deep learning. Communications Biology. Springer Nature. https://doi.org/10.1038/s42003-025-09158-6","ama":"Serin E, Ritter K, Schumann G, et al. Generating synthetic task-based brain fingerprints for population neuroscience using deep learning. Communications Biology. 2025;8. doi:10.1038/s42003-025-09158-6","mla":"Serin, Emin, et al. “Generating Synthetic Task-Based Brain Fingerprints for Population Neuroscience Using Deep Learning.” Communications Biology, vol. 8, 1572, Springer Nature, 2025, doi:10.1038/s42003-025-09158-6.","chicago":"Serin, Emin, Kerstin Ritter, Gunter Schumann, Tobias Banaschewski, Andre Marquand, Henrik Walter, George Ogoh, et al. “Generating Synthetic Task-Based Brain Fingerprints for Population Neuroscience Using Deep Learning.” Communications Biology. Springer Nature, 2025. https://doi.org/10.1038/s42003-025-09158-6."},"PlanS_conform":"1","year":"2025","title":"Generating synthetic task-based brain fingerprints for population neuroscience using deep learning","publication_identifier":{"eissn":["2399-3642"]},"file_date_updated":"2025-11-24T09:12:19Z","oa":1,"OA_type":"gold","OA_place":"publisher","abstract":[{"text":"Task-based functional magnetic resonance imaging (fMRI) reveals individual differences in neural correlates of cognition but faces scalability challenges due to cognitive demands, protocol variability, and limited task coverage in large datasets. Here, we propose DeepTaskGen, a deep-learning approach that synthesizes non-acquired task-based contrast maps from resting-state (rs-) fMRI. We validate this approach using the Human Connectome Project lifespan data, then generate 47 contrast maps from 7 different cognitive tasks for over 20,000 individuals from UK Biobank. DeepTaskGen outperforms several benchmarks in generating synthetic task-contrast maps, achieving superior reconstruction performance while retaining inter-individual variation essential for biomarker development. We further show comparable or superior predictive performance of synthetic maps relative to actual maps and rs-connectomes across diverse demographic, cognitive, and clinical variables. This approach facilitates the study of individual differences and the generation of task-related biomarkers by enabling the generation of arbitrary functional cognitive tasks from readily available rs-fMRI data.","lang":"eng"}],"external_id":{"isi":["001614464000001"],"pmid":["41238730"]},"type":"journal_article","status":"public","date_updated":"2026-07-29T11:13:56Z","_id":"20662","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"doi":"10.1038/s42003-025-09158-6","date_published":"2025-12-01T00:00:00Z","article_number":"1572","volume":8,"fulldoi":"https://doi.org/10.1038/s42003-025-09158-6","month":"12","quality_controlled":"1","article_processing_charge":"Yes","oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2025-11-23T23:01:38Z","license":"https://creativecommons.org/licenses/by/4.0/","has_accepted_license":"1","author":[{"last_name":"Serin","full_name":"Serin, Emin","first_name":"Emin"},{"last_name":"Ritter","full_name":"Ritter, Kerstin","first_name":"Kerstin"},{"full_name":"Schumann, Gunter","first_name":"Gunter","last_name":"Schumann"},{"last_name":"Banaschewski","first_name":"Tobias","full_name":"Banaschewski, Tobias"},{"last_name":"Marquand","first_name":"Andre","full_name":"Marquand, Andre"},{"last_name":"Walter","first_name":"Henrik","full_name":"Walter, Henrik"},{"full_name":"Ogoh, George","first_name":"George","last_name":"Ogoh"},{"first_name":"Bernd Carsten","full_name":"Stahl, Bernd Carsten","last_name":"Stahl"},{"full_name":"Brandlistuen, Ragnhild","first_name":"Ragnhild","last_name":"Brandlistuen"},{"last_name":"Schikowski","first_name":"Tamara","full_name":"Schikowski, Tamara"},{"full_name":"Young, Allan H.","first_name":"Allan H.","last_name":"Young"},{"full_name":"Xinyang, Yu","first_name":"Yu","last_name":"Xinyang"},{"last_name":"Zhang","first_name":"Zuo","full_name":"Zhang, Zuo"},{"last_name":"Agunbiade","first_name":"Kofoworola","full_name":"Agunbiade, Kofoworola"},{"full_name":"Chen, Di","first_name":"Di","last_name":"Chen"},{"full_name":"Desrivières, Sylvane","first_name":"Sylvane","last_name":"Desrivières"},{"last_name":"Clinton","first_name":"Nicholas","full_name":"Clinton, Nicholas"},{"last_name":"Thompson","full_name":"Thompson, Paul","first_name":"Paul"},{"last_name":"Köhler","first_name":"Venessa","full_name":"Köhler, Venessa"},{"first_name":"Ameli","full_name":"Schwalber, Ameli","last_name":"Schwalber"},{"first_name":"Vince D.","full_name":"Calhoun, Vince D.","last_name":"Calhoun"},{"last_name":"Chang","first_name":"Xiao","full_name":"Chang, Xiao"},{"last_name":"Zhang","first_name":"Yanqing","full_name":"Zhang, Yanqing"},{"full_name":"Li, Yuzhu","first_name":"Yuzhu","last_name":"Li"},{"last_name":"Dai","first_name":"Yuxiang","full_name":"Dai, Yuxiang"},{"first_name":"Jiacan","full_name":"Yuan, Jiacan","last_name":"Yuan"},{"first_name":"Yunman","full_name":"Xia, Yunman","last_name":"Xia"},{"first_name":"Tianye","full_name":"Jia, Tianye","last_name":"Jia"},{"full_name":"Renner, Paul","first_name":"Paul","last_name":"Renner"},{"last_name":"Hese","first_name":"Sören","full_name":"Hese, Sören"},{"last_name":"Spanlang","first_name":"Bernhard","full_name":"Spanlang, Bernhard"},{"first_name":"Charlie","full_name":"Pearmund, Charlie","last_name":"Pearmund"},{"first_name":"Anastasios Polykarpos","full_name":"Athanasiadis, Anastasios Polykarpos","last_name":"Athanasiadis"},{"last_name":"Petkoski","first_name":"Spase","full_name":"Petkoski, Spase"},{"last_name":"Jirsa","full_name":"Jirsa, Viktor","first_name":"Viktor"},{"full_name":"Schmitt, Karen","first_name":"Karen","last_name":"Schmitt"},{"first_name":"Johannes H.","full_name":"Wilbertz, Johannes H.","last_name":"Wilbertz"},{"first_name":"Myrto","full_name":"Patraskaki, Myrto","last_name":"Patraskaki"},{"full_name":"Sommer, Peter","first_name":"Peter","last_name":"Sommer"},{"first_name":"Stefanie","full_name":"Heilmann-Heimbach, Stefanie","last_name":"Heilmann-Heimbach"},{"last_name":"Mathey","full_name":"Mathey, Carina M.","first_name":"Carina M."},{"full_name":"Miller, Abigail J.","first_name":"Abigail J.","last_name":"Miller"},{"last_name":"Claus","full_name":"Claus, Isabelle","first_name":"Isabelle"},{"first_name":"Markus M.","full_name":"Nöthen, Markus M.","last_name":"Nöthen"},{"full_name":"Hoffmann, Per","first_name":"Per","last_name":"Hoffmann"},{"first_name":"Andreas J.","full_name":"Forstner, Andreas J.","last_name":"Forstner"},{"full_name":"Pastor, Alvaro","first_name":"Alvaro","last_name":"Pastor"},{"last_name":"Gallego","first_name":"Jaime","full_name":"Gallego, Jaime"},{"full_name":"Itatani, Reiya","first_name":"Reiya","last_name":"Itatani"},{"last_name":"Eiroa-Orosa","full_name":"Eiroa-Orosa, Francisco","first_name":"Francisco"},{"full_name":"Feixas, Guillem","first_name":"Guillem","last_name":"Feixas"},{"full_name":"Slater, Mel","first_name":"Mel","last_name":"Slater"},{"orcid":"0000-0002-7673-7178","id":"3E57A680-F248-11E8-B48F-1D18A9856A87","last_name":"Novarino","first_name":"Gaia","full_name":"Novarino, Gaia"},{"first_name":"Sarah Jane","full_name":"Böttger, Sarah Jane","last_name":"Böttger"},{"first_name":"Mira","full_name":"Tschorn, Mira","last_name":"Tschorn"},{"last_name":"Rapp","full_name":"Rapp, Michael","first_name":"Michael"},{"last_name":"Ask","full_name":"Ask, Helga","first_name":"Helga"},{"last_name":"Kjelkenes","full_name":"Kjelkenes, Rikka","first_name":"Rikka"},{"first_name":"Sara","full_name":"Fernandez, Sara","last_name":"Fernandez"},{"last_name":"Van Der Meer","first_name":"Dennis","full_name":"Van Der Meer, Dennis"},{"full_name":"Westlye, Lars T.","first_name":"Lars T.","last_name":"Westlye"},{"last_name":"Andreassen","first_name":"Ole A.","full_name":"Andreassen, Ole A."},{"last_name":"Aden","full_name":"Aden, Rieke","first_name":"Rieke"},{"first_name":"Beke","full_name":"Seefried, Beke","last_name":"Seefried"},{"full_name":"Nees, Frauke","first_name":"Frauke","last_name":"Nees"},{"last_name":"Neidhart","first_name":"Maja","full_name":"Neidhart, Maja"},{"first_name":"Argyris","full_name":"Stringaris, Argyris","last_name":"Stringaris"},{"last_name":"Schwarz","first_name":"Emanuel","full_name":"Schwarz, Emanuel"},{"last_name":"Holz","first_name":"Nathalie","full_name":"Holz, Nathalie"},{"first_name":"Heike","full_name":"Tost, Heike","last_name":"Tost"},{"full_name":"Meyer-Lindenberg, Andreas","first_name":"Andreas","last_name":"Meyer-Lindenberg"},{"last_name":"Christmann","full_name":"Christmann, Nina","first_name":"Nina"},{"last_name":"Janson","first_name":"Karina","full_name":"Janson, Karina"},{"last_name":"Schepanski","first_name":"Kerstin","full_name":"Schepanski, Kerstin"},{"last_name":"Schütz","first_name":"Tatjana","full_name":"Schütz, Tatjana"},{"last_name":"Taron","first_name":"Ulrike Helene","full_name":"Taron, Ulrike Helene"},{"full_name":"Eils, Roland","first_name":"Roland","last_name":"Eils"},{"last_name":"Roy","first_name":"Jean Charles","full_name":"Roy, Jean Charles"},{"last_name":"Lett","full_name":"Lett, Tristram A.","first_name":"Tristram A."},{"full_name":"Kebir, Hedi","first_name":"Hedi","last_name":"Kebir"},{"last_name":"Polemiti","first_name":"Elli","full_name":"Polemiti, Elli"},{"full_name":"Hitchen, Esther","first_name":"Esther","last_name":"Hitchen"},{"first_name":"Marcel","full_name":"Jentsch, Marcel","last_name":"Jentsch"},{"last_name":"Serin","full_name":"Serin, Emin","first_name":"Emin"},{"full_name":"Bernas, Antoine","first_name":"Antoine","last_name":"Bernas"},{"last_name":"Vaidya","full_name":"Vaidya, Nilakshi","first_name":"Nilakshi"},{"first_name":"Sven","full_name":"Twardziok, Sven","last_name":"Twardziok"},{"last_name":"Ralser","first_name":"Markus","full_name":"Ralser, Markus"},{"last_name":"Heinz","first_name":"Andreas","full_name":"Heinz, Andreas"},{"first_name":"Gunter","full_name":"Schumann, Gunter","last_name":"Schumann"}],"scopus_import":"1","acknowledgement":"Funded by the European Union (Grant agreement No 101057429). Complementary funding was received by UK Research and Innovation (UKRI) under the UK government’s Horizon Europe funding guarantee (10131373 and 10038599) and the National Key R&D Program of Ministry of Science and Technology of China (MOST 2023YFE0199700). Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union, the European Health and Digital Executive Agency (HADEA), UKRI or MOST. Neither the European Union nor HADEA nor UKRI nor MOST can be held responsible for them. This work has also been supported by a Grant from the German Research Foundation to the ENIGMA task-based fMRI Working Group (DFG ER 724/4–1, WA 1539/11–1). Data used in this study were provided in part by the Human Connectome Project, WU-Minn Consortium (principal investigators: D. Van Essen and K. Ugurbil; grant number 1U54MH091657), funded by the 16 National Institutes of Health (NIH) institutes and centers supporting the NIH Blueprint for Neuroscience Research, and by the McDonnell Center for Systems Neuroscience at Washington University. Additionally, this research utilized data obtained from UK Biobank, a large-scale biomedical database. Open Access funding enabled and organized by Projekt DEAL.","isi":1,"day":"01","department":[{"_id":"GaNo"}],"publisher":"Springer Nature","pmid":1,"ddc":["570"],"language":[{"iso":"eng"}],"publication_status":"published","article_type":"original","publication":"Communications Biology"},{"file":[{"checksum":"9e3b6b73f8cbec2c3687d17fe8e30410","file_id":"20919","file_name":"tadpoleAdEx.zip","date_updated":"2026-01-02T13:05:07Z","date_created":"2026-01-01T17:26:30Z","access_level":"closed","creator":"awilson","content_type":"application/zip","relation":"source_file","file_size":566072368},{"creator":"awilson","file_size":7170097,"relation":"main_file","content_type":"application/pdf","access_level":"open_access","date_created":"2026-01-04T12:58:49Z","date_updated":"2026-01-04T12:58:49Z","file_id":"20923","file_name":"Masters_Thesis_Alexia_Wilson_FINAL_pdfA.pdf","checksum":"13f4c0d33923e9d5c9d56731345cf21d","success":1}],"alternative_title":["ISTA Master's Thesis"],"citation":{"chicago":"Wilson, Alexia C. “Modelling the Spinal Cord of a Tadpole: Exploring Different Ways to Model the Spinal Cord in the Xenopus Frog.” Institute of Science and Technology Austria, 2025. https://doi.org/10.15479/AT-ISTA-20735.","ama":"Wilson AC. Modelling the spinal cord of a tadpole: Exploring different ways to model the spinal cord in the Xenopus frog. 2025. doi:10.15479/AT-ISTA-20735","mla":"Wilson, Alexia C. Modelling the Spinal Cord of a Tadpole: Exploring Different Ways to Model the Spinal Cord in the Xenopus Frog. Institute of Science and Technology Austria, 2025, doi:10.15479/AT-ISTA-20735.","ieee":"A. C. Wilson, “Modelling the spinal cord of a tadpole: Exploring different ways to model the spinal cord in the Xenopus frog,” Institute of Science and Technology Austria, 2025.","ista":"Wilson AC. 2025. Modelling the spinal cord of a tadpole: Exploring different ways to model the spinal cord in the Xenopus frog. Institute of Science and Technology Austria.","apa":"Wilson, A. C. (2025). Modelling the spinal cord of a tadpole: Exploring different ways to model the spinal cord in the Xenopus frog. Institute of Science and Technology Austria. https://doi.org/10.15479/AT-ISTA-20735","short":"A.C. Wilson, Modelling the Spinal Cord of a Tadpole: Exploring Different Ways to Model the Spinal Cord in the Xenopus Frog, Institute of Science and Technology Austria, 2025."},"year":"2025","title":"Modelling the spinal cord of a tadpole: Exploring different ways to model the spinal cord in the Xenopus frog","publication_identifier":{"issn":["2791-4585"]},"file_date_updated":"2026-01-04T12:58:49Z","oa":1,"OA_place":"publisher","abstract":[{"text":"Left–right alternation is a defining feature of spinal locomotor circuits, yet the level of neuronal\r\ndetail required to generate and maintain this pattern remains unclear. This thesis investigates how\r\nmodels spanning multiple levels of abstraction—from biophysically detailed Hodgkin–Huxley (HH)\r\nneurons to adaptive integrate–and–fire (I&F) formulations and synfire-chain modules—can account\r\nfor the generation of fictive swimming in the spinal cord of the Xenopus laevis tadpole. The guiding\r\nhypothesis is that a small set of neuronal mechanisms is sufficient to reproduce the essential features\r\nof rhythmic alternation, and that moving between modeling scales helps distinguish core principles\r\nfrom biological detail.\r\nA minimal bilateral HH network comprising only four canonical neuron classes—excitatory\r\ndescending interneurons (dINs), inhibitory commissural interneurons (cINs), ipsilateral inhibitory\r\ninterneurons (aINs) and motoneurons—served as a biophysical proof of concept. Tuned to reproduce\r\nexperimentally observed firing modes, the model demonstrated that rebound-prone dIN excitability,\r\ncontralateral inhibition and modest electrical coupling are sufficient to generate stable alternating\r\nactivity, even in very small networks. These results motivated the transition to simpler models\r\ncapable of efficient analysis and scaling.\r\nAdaptive exponential I&F (AdEx) neurons were calibrated to physiological recordings using\r\nsimulation-based inference, yielding tonic and phasic/rebound templates that preserved the key\r\ndynamical signatures of the HH model. Phase-plane analysis clarified the mechanisms underlying\r\nsingle-spike responses and rebound firing in dINs. At network level, the I&F models robustly\r\nreproduced left–right alternation, while highlighting constraints on synaptic kinetics and adaptation\r\nneeded to avoid multi-spike responses.\r\nFinally, a synfire-chain framework provided a complementary, timing-centric perspective, demonstrating how precise spike synchrony, synaptic delays and minimal inhibitory coupling can generate\r\nalternating left–right sequences in a feedforward setting. Together, these approaches converge on a\r\ncommon conclusion: rebound-prone ipsilateral excitation combined with precisely timed contralateral inhibition constitutes a sufficient substrate for alternating spinal rhythms.\r\nBy integrating bottom-up and top-down modeling strategies, this thesis provides a unified, extensible framework for studying spinal pattern generation. The results show that essential locomotor\r\ndynamics can be captured across multiple abstraction levels, offering both mechanistic insight and\r\npractical tools for future data-driven investigations of spinal circuit development, robustness and\r\nmodulation.","lang":"eng"}],"related_material":{"record":[{"status":"public","id":"13097","relation":"part_of_dissertation"}]},"status":"public","type":"dissertation","date_updated":"2026-07-29T12:55:12Z","_id":"20735","date_published":"2025-12-09T00:00:00Z","doi":"10.15479/AT-ISTA-20735","month":"12","fulldoi":"https://doi.org/10.15479/AT-ISTA-20735","article_processing_charge":"No","oa_version":"Published Version","doi_confirm":"1","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","page":"110","date_created":"2025-12-08T09:49:41Z","corr_author":"1","has_accepted_license":"1","author":[{"id":"5230e794-15b2-11ec-abd3-e2d5335ebd1d","last_name":"Wilson","orcid":"0000-0001-6191-1367","full_name":"Wilson, Alexia C","first_name":"Alexia C"}],"degree_awarded":"MS","supervisor":[{"id":"CB6FF8D2-008F-11EA-8E08-2637E6697425","last_name":"Vogels","orcid":"0000-0003-3295-6181","first_name":"Tim P","full_name":"Vogels, Tim P"},{"id":"56BE8254-C4F0-11E9-8E45-0B23E6697425","last_name":"Sweeney","orcid":"0000-0001-9242-5601","full_name":"Sweeney, Lora Beatrice Jaeger","first_name":"Lora Beatrice Jaeger"}],"publisher":"Institute of Science and Technology Austria","day":"09","department":[{"_id":"GradSch"},{"_id":"TiVo"},{"_id":"LoSw"}],"ddc":["570","596","005"],"language":[{"iso":"eng"}],"publication_status":"published"},{"year":"2025","das_tickbox":"1","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2509.20539","open_access":"1"}],"arxiv":1,"citation":{"ieee":"M. Dvorak et al., “Composition direction of Seymour’s theorem for regular matroids — Formally verified,” arXiv. .","ista":"Dvorak M, Figueroa-Reid T, Hamadani R, Hwang B-H, Karunus E, Kolmogorov V, Meiburg A, Nelson A, Nelson P, Sandey M, Sergeev I. Composition direction of Seymour’s theorem for regular matroids — Formally verified. arXiv, 2509.20539.","apa":"Dvorak, M., Figueroa-Reid, T., Hamadani, R., Hwang, B.-H., Karunus, E., Kolmogorov, V., … Sergeev, I. (n.d.). Composition direction of Seymour’s theorem for regular matroids — Formally verified. arXiv. https://doi.org/10.48550/arXiv.2509.20539","short":"M. Dvorak, T. Figueroa-Reid, R. Hamadani, B.-H. Hwang, E. Karunus, V. Kolmogorov, A. Meiburg, A. Nelson, P. Nelson, M. Sandey, I. Sergeev, ArXiv (n.d.).","chicago":"Dvorak, Martin, Tristan Figueroa-Reid, Rida Hamadani, Byung-Hak Hwang, Evgenia Karunus, Vladimir Kolmogorov, Alexander Meiburg, et al. “Composition Direction of Seymour’s Theorem for Regular Matroids — Formally Verified.” ArXiv, n.d. https://doi.org/10.48550/arXiv.2509.20539.","ama":"Dvorak M, Figueroa-Reid T, Hamadani R, et al. Composition direction of Seymour’s theorem for regular matroids — Formally verified. arXiv. doi:10.48550/arXiv.2509.20539","mla":"Dvorak, Martin, et al. “Composition Direction of Seymour’s Theorem for Regular Matroids — Formally Verified.” ArXiv, 2509.20539, doi:10.48550/arXiv.2509.20539."},"date_updated":"2026-07-29T12:56:51Z","status":"public","type":"preprint","related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"21393"}]},"doi":"10.48550/arXiv.2509.20539","date_published":"2025-09-23T00:00:00Z","_id":"21398","article_number":"2509.20539","oa":1,"title":"Composition direction of Seymour's theorem for regular matroids — Formally verified","OA_place":"repository","OA_type":"green","external_id":{"arxiv":["2509.20539"]},"abstract":[{"text":"Seymour's decomposition theorem is a hallmark result in matroid theory presenting a structural characterization of the class of regular matroids. Formalization of matroid theory faces many challenges, most importantly that only a limited number of notions and results have been implemented so far. In this work, we formalize the proof of the forward (composition) direction of Seymour's theorem for regular matroids. To this end, we develop a library in Lean 4 that implements definitions and results about totally unimodular matrices, vector matroids, their standard representations, regular matroids, and 1-, 2-, and 3-sums of matrices and binary matroids given by their standard representations. Using this framework, we formally state Seymour's decomposition theorem and implement a formally verified proof of the composition direction in the setting where the matroids have finite rank and may have infinite ground sets.","lang":"eng"}],"date_created":"2026-03-04T11:56:29Z","corr_author":"1","author":[{"first_name":"Martin","full_name":"Dvorak, Martin","orcid":"0000-0001-5293-214X","id":"40ED02A8-C8B4-11E9-A9C0-453BE6697425","last_name":"Dvorak"},{"last_name":"Figueroa-Reid","first_name":"Tristan","full_name":"Figueroa-Reid, Tristan"},{"last_name":"Hamadani","first_name":"Rida","full_name":"Hamadani, Rida"},{"full_name":"Hwang, Byung-Hak","first_name":"Byung-Hak","last_name":"Hwang"},{"last_name":"Karunus","full_name":"Karunus, Evgenia","first_name":"Evgenia"},{"first_name":"Vladimir","full_name":"Kolmogorov, Vladimir","id":"3D50B0BA-F248-11E8-B48F-1D18A9856A87","last_name":"Kolmogorov"},{"last_name":"Meiburg","first_name":"Alexander","full_name":"Meiburg, Alexander"},{"first_name":"Alexander","full_name":"Nelson, Alexander","last_name":"Nelson"},{"last_name":"Nelson","first_name":"Peter","full_name":"Nelson, Peter"},{"last_name":"Sandey","first_name":"Mark","full_name":"Sandey, Mark"},{"first_name":"Ivan","full_name":"Sergeev, Ivan","id":"ca3c9187-9a72-11ee-a009-8af825d896b0","orcid":"0009-0004-9145-8785","last_name":"Sergeev"}],"fulldoi":"https://doi.org/10.48550/arXiv.2509.20539","month":"09","oa_version":"Preprint","article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"draft","language":[{"iso":"eng"}],"publication":"arXiv","acknowledgement":"We would like to dedicate the paper to the memory of Klaus Truemper, whose monograph Matroid Decomposition [12]\r\nlaid the foundation for our entire work.","day":"23","department":[{"_id":"GradSch"},{"_id":"VlKo"}]},{"doi":"10.15479/AT-ISTA-20203","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-08-27T00:00:00Z","_id":"20203","date_updated":"2026-07-29T13:11:25Z","related_material":{"record":[{"relation":"part_of_dissertation","id":"12109","status":"public"},{"id":"15322","status":"public","relation":"part_of_dissertation"},{"id":"19278","status":"public","relation":"part_of_dissertation"}]},"status":"public","type":"dissertation","OA_place":"publisher","oa":1,"publication_identifier":{"isbn":["978-3-99078-062-6"],"issn":["2663-337X"]},"title":"Tribocharging of identical insulators: Triboelectric series, triboelectric cycles and surface charges","file_date_updated":"2025-08-28T08:19:07Z","abstract":[{"lang":"eng","text":"Tribocharging, or contact electrification, is the phenomenon in which two initially neutral materials exchange electric charge through contact and subsequent separation. While it is widely observed in everyday life and crucial to numerous natural processes, even the most basic aspects of tribocharging are still a mystery—what are the charge carriers involved and what drives their exchange? This work spans three separate projects that address different aspects of tribocharging. First, we introduce a novel strategy combining Finite Element Method (FEM) simulations with Kelvin Probe Force Microscopy (KPFM) to quantitatively extract surface charge density from surface voltage maps. Second, we present a simple theoretical model that allows for the existence of triboelectric cycles, under the assumption that multiple charge carrying species are involved. Third, we present experimental evidence that identical materials can spontaneously evolve into a triboelectric series, driven by contact history. Modeling this behavior enables the replication of experimental results with simulations, and even experimentally forcing the appearance of a pre-designed series by manipulating contact history. Together, the findings from these projects challenge traditional views on tribocharging, provide new tools for probing it, and open up new avenues of research—all with the hopes of bringing us closer to understanding this puzzling phenomenon."}],"year":"2025","alternative_title":["ISTA Thesis"],"file":[{"date_updated":"2025-08-27T14:50:32Z","date_created":"2025-08-27T14:50:32Z","access_level":"open_access","checksum":"661b9d3786cfc985be811befc3262bf5","file_name":"2025_Sobarzo_JuanCarlos_Thesis.pdf","file_id":"20237","success":1,"creator":"jsobarzo","file_size":12667200,"content_type":"application/pdf","relation":"main_file"},{"checksum":"ca2f24e6c3b55912982521707552a0f5","file_name":"2025_Sobarzo_JuanCarlos_Thesis.zip","file_id":"20238","date_updated":"2025-08-28T08:19:07Z","date_created":"2025-08-27T14:50:32Z","access_level":"closed","content_type":"application/x-zip-compressed","relation":"source_file","file_size":18940521,"creator":"jsobarzo"}],"ec_funded":1,"citation":{"chicago":"Sobarzo Ponce, Juan Carlos A. “Tribocharging of Identical Insulators: Triboelectric Series, Triboelectric Cycles and Surface Charges.” Institute of Science and Technology Austria, 2025. https://doi.org/10.15479/AT-ISTA-20203.","ama":"Sobarzo Ponce JCA. Tribocharging of identical insulators: Triboelectric series, triboelectric cycles and surface charges. 2025. doi:10.15479/AT-ISTA-20203","mla":"Sobarzo Ponce, Juan Carlos A. Tribocharging of Identical Insulators: Triboelectric Series, Triboelectric Cycles and Surface Charges. Institute of Science and Technology Austria, 2025, doi:10.15479/AT-ISTA-20203.","ista":"Sobarzo Ponce JCA. 2025. Tribocharging of identical insulators: Triboelectric series, triboelectric cycles and surface charges. Institute of Science and Technology Austria.","ieee":"J. C. A. Sobarzo Ponce, “Tribocharging of identical insulators: Triboelectric series, triboelectric cycles and surface charges,” Institute of Science and Technology Austria, 2025.","apa":"Sobarzo Ponce, J. C. A. (2025). Tribocharging of identical insulators: Triboelectric series, triboelectric cycles and surface charges. Institute of Science and Technology Austria. https://doi.org/10.15479/AT-ISTA-20203","short":"J.C.A. Sobarzo Ponce, Tribocharging of Identical Insulators: Triboelectric Series, Triboelectric Cycles and Surface Charges, Institute of Science and Technology Austria, 2025."},"publication_status":"published","language":[{"iso":"eng"}],"ddc":["530"],"project":[{"call_identifier":"H2020","grant_number":"949120","name":"Tribocharge: a multi-scale approach to an enduring problem in physics","_id":"0aa60e99-070f-11eb-9043-a6de6bdc3afa"}],"acknowledgement":"The project in Chapter 2 has received funding from the European Research Council (ERC) under\r\nthe European Union’s Horizon 2020 research and innovation programme (Grant Agreement\r\nNo. 949120).\r\nThe project in Chapter 3 has received funding from the European Research Council (ERC) under\r\nthe European Union’s Horizon 2020 research and innovation programme (Grant Agreement\r\nNo. 949120).\r\nThe project in Chapter 4 has received financing from the European Research Council grant\r\nagreement No. 949120 under the European Union’s Horizon 2020 research and innovation\r\nprogramme. The Analytical Instrumentation Center of the TU Wien acknowledges support by\r\nthe FFG project ‘ELSA’ under grant no. 884672. C.M.P. and M.O. acknowledge the state\r\nof Lower Austria and the European Regional Development Fund under grant no. WST3-F542638/004-2021.\r\n","supervisor":[{"id":"3A1FFC16-F248-11E8-B48F-1D18A9856A87","last_name":"Waitukaitis","orcid":"0000-0002-2299-3176","first_name":"Scott R","full_name":"Waitukaitis, Scott R"}],"degree_awarded":"PhD","day":"27","publisher":"Institute of Science and Technology Austria","department":[{"_id":"GradSch"},{"_id":"ScWa"}],"corr_author":"1","acknowledged_ssus":[{"_id":"M-Shop"},{"_id":"NanoFab"},{"_id":"EM-Fac"},{"_id":"LifeSc"},{"_id":"ScienComp"}],"page":"96","date_created":"2025-08-21T11:42:59Z","author":[{"first_name":"Juan Carlos A","full_name":"Sobarzo Ponce, Juan Carlos A","id":"4B807D68-AE37-11E9-AC72-31CAE5697425","last_name":"Sobarzo Ponce"}],"has_accepted_license":"1","doi_confirm":"1","oa_version":"Published Version","article_processing_charge":"No","fulldoi":"https://doi.org/10.15479/AT-ISTA-20203","month":"08","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9"},{"date_created":"2025-09-04T09:14:11Z","corr_author":"1","author":[{"first_name":"Manas","full_name":"Bhargava, Manas","orcid":"0009-0007-6138-6890","last_name":"Bhargava","id":"FF8FA64C-AA6A-11E9-99AD-50D4E5697425"},{"last_name":"Hiraki","full_name":"Hiraki, Takefumi","first_name":"Takefumi"},{"full_name":"Strugaru, Irina-Malina","first_name":"Irina-Malina","id":"2afc607f-f128-11eb-9611-8f2a0dfcf074","last_name":"Strugaru"},{"first_name":"Yuhan","full_name":"Zhang, Yuhan","last_name":"Zhang"},{"first_name":"Michael","full_name":"Piovarci, Michael","orcid":"0000-0002-5062-4474","id":"62E473F4-5C99-11EA-A40E-AF823DDC885E","last_name":"Piovarci"},{"last_name":"Daraio","first_name":"Chiara","full_name":"Daraio, Chiara"},{"last_name":"Iwai","full_name":"Iwai, Daisuke","first_name":"Daisuke"},{"last_name":"Bickel","id":"49876194-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-6511-9385","first_name":"Bernd","full_name":"Bickel, Bernd"}],"month":"08","fulldoi":"https://doi.org/10.48550/arXiv.2508.05410","article_processing_charge":"No","oa_version":"Preprint","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","language":[{"iso":"eng"}],"publication_status":"draft","publication":"arXiv","acknowledgement":"The authors express gratitude to Magali Lorion for assisting in the initial fabrication of LCEs,\r\nPengbin Tang for providing the code for simulating discrete elastic rods, the Imaging and\r\nOptics Facility at ISTA for assisting with the spectrometry measurements, and the MIBA\r\nmachine shop at ISTA for their support in manufacturing various devices.\r\nFunding: This project was supported by the European Research Council (ERC) under\r\nthe European Union’s Horizon 2020 research and innovation program (Grant Agreement No.\r\n715767 -– MATERIALIZABLE).","project":[{"name":"MATERIALIZABLE: Intelligent fabrication-oriented Computational Design and Modeling","_id":"24F9549A-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"715767"}],"day":"31","department":[{"_id":"BeBi"}],"year":"2025","ec_funded":1,"arxiv":1,"main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2508.05410","open_access":"1"}],"citation":{"short":"M. Bhargava, T. Hiraki, I.-M. Strugaru, Y. Zhang, M. Piovarci, C. Daraio, D. Iwai, B. Bickel, ArXiv (n.d.).","ista":"Bhargava M, Hiraki T, Strugaru I-M, Zhang Y, Piovarci M, Daraio C, Iwai D, Bickel B. Computational design and fabrication of modular robots with untethered control. arXiv, 10.48550/arXiv.2508.05410.","ieee":"M. Bhargava et al., “Computational design and fabrication of modular robots with untethered control,” arXiv. .","apa":"Bhargava, M., Hiraki, T., Strugaru, I.-M., Zhang, Y., Piovarci, M., Daraio, C., … Bickel, B. (n.d.). Computational design and fabrication of modular robots with untethered control. arXiv. https://doi.org/10.48550/arXiv.2508.05410","mla":"Bhargava, Manas, et al. “Computational Design and Fabrication of Modular Robots with Untethered Control.” ArXiv, doi:10.48550/arXiv.2508.05410.","ama":"Bhargava M, Hiraki T, Strugaru I-M, et al. Computational design and fabrication of modular robots with untethered control. arXiv. doi:10.48550/arXiv.2508.05410","chicago":"Bhargava, Manas, Takefumi Hiraki, Irina-Malina Strugaru, Yuhan Zhang, Michael Piovarci, Chiara Daraio, Daisuke Iwai, and Bernd Bickel. “Computational Design and Fabrication of Modular Robots with Untethered Control.” ArXiv, n.d. https://doi.org/10.48550/arXiv.2508.05410."},"related_material":{"record":[{"id":"20276","status":"public","relation":"dissertation_contains"}]},"type":"preprint","status":"public","date_updated":"2026-07-29T13:03:30Z","_id":"20286","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"doi":"10.48550/arXiv.2508.05410","date_published":"2025-08-31T00:00:00Z","title":"Computational design and fabrication of modular robots with untethered control","oa":1,"OA_place":"repository","abstract":[{"text":"Natural organisms utilize distributed actuation through their musculoskeletal\r\nsystems to adapt their gait for traversing diverse terrains or to morph their\r\nbodies for varied tasks. A longstanding challenge in robotics is to emulate\r\nthis capability of natural organisms, which has motivated the development of\r\nnumerous soft robotic systems. However, such systems are generally optimized\r\nfor a single functionality, lack the ability to change form or function on\r\ndemand, or remain tethered to bulky control systems. To address these\r\nlimitations, we present a framework for designing and controlling robots that\r\nutilize distributed actuation. We propose a novel building block that\r\nintegrates 3D-printed bones with liquid crystal elastomer (LCE) muscles as\r\nlightweight actuators, enabling the modular assembly of musculoskeletal robots.\r\nWe developed LCE rods that contract in response to infrared radiation, thereby\r\nproviding localized, untethered control over the distributed skeletal network\r\nand producing global deformations of the robot. To fully capitalize on the\r\nextensive design space, we introduce two computational tools: one for\r\noptimizing the robot's skeletal graph to achieve multiple target deformations,\r\nand another for co-optimizing skeletal designs and control gaits to realize\r\ndesired locomotion. We validate our framework by constructing several robots\r\nthat demonstrate complex shape morphing, diverse control schemes, and\r\nenvironmental adaptability. Our system integrates advances in modular material\r\nbuilding, untethered and distributed control, and computational design to\r\nintroduce a new generation of robots that brings us closer to the capabilities\r\nof living organisms.","lang":"eng"}],"external_id":{"arxiv":["2508.05410"]}},{"_id":"20371","date_published":"2025-09-23T00:00:00Z","doi":"10.15479/AT-ISTA-20371","type":"dissertation","status":"public","related_material":{"record":[{"relation":"part_of_dissertation","status":"public","id":"8755"}]},"date_updated":"2026-07-29T13:12:10Z","OA_place":"publisher","publication_identifier":{"issn":["2663-337X"],"isbn":["978-3-99078-067-1"]},"file_date_updated":"2025-09-26T07:20:48Z","title":"High-impedance quantum circuits for mesoscopic physics: Geometric superinductors and insulating Josephson Chains","oa":1,"abstract":[{"text":"Quantum mechanics reveals a world that defies classical determinism, where uncertainty, superposition, and fluctuations are fundamental aspects. Engineering devices that harness these quantum features requires not only precision, but also a deep understanding of how they interact with their surrounding environment. Superconducting circuits, which exploit\r\nmacroscopic quantum coherence in low-loss superconducting materials, provide a scalable platform for implementing such systems. Among the critical elements in these circuits, superinductors—high-impedance, dissipation-free inductive components—play a central role by suppressing charge fluctuations. They allow quantum states to be delocalized in phase space, protect qubits from environmental noise, and facilitate access to phenomena such as dual Josephson physics and ultra-strong coupling regimes. \r\nThis thesis explores two complementary implementations of high-impedance circuits: geometric superinductors, demonstrating that high impedance can be achieved beyond kinetic inductance,\r\nand Josephson junction chains, used to investigate both microwave mode properties and DC transport across the superconductor-to-insulator transition. \r\nPart I addresses geometric superinductors. Contrary to the common belief that high-impedance superconducting circuits require kinetic inductance, we demonstrate that purely geometric designs can achieve characteristic impedance exceeding the resistance quantum. By exploiting mutual coupling between adjacent turns, coil-based inductors achieve enhanced self-inductance, creating a reliable platform for qubits and resonators. Modeling, simulation, fabrication, and\r\ncharacterization confirm that these elements behave as superinductor. With low loss, high linearity, and minimal stray capacitance, these elements are reproducible, free of uncontrolled tunneling events, and capable of strong magnetic coupling. This establishes geometric superinductors as robust, single-wave-function superconducting devices suitable for hardware protected qubits and hybrid systems.\r\nPart II presents classical numerical simulations of a Quantum Phase Slip circuit to study dual Shapiro steps. The circuit consists of an ideal Quantum Phase Slip element embedded in a resistive-inductive environment with a parasitic capacitance.\r\nPart III extends the investigation of high characteristic-impedance circuit elements to one-dimensional Josephson junction chains, which act as a quantum simulator for many-body physics and the superconductor–insulator transition. Different devices are realized on both sides of the DC phase transition, showing either a supercurrent branch or Coulomb blockade at zero bias. The effect of the crossover on microwave modes, however, remains insufficiently investigated. Studying these modes provides insight into the interplay between disorder and phase-slip events. Small differences in circuit component sizes determine which side of the transition a device falls on, making these results relevant not only for fundamental understanding but also for the design of quantum devices, emphasizing the crucial role of the\r\nelectromagnetic environment in stabilizing and controlling fragile quantum states. \r\nTogether, these results illustrate how carefully engineered high characteristic-impedance elements provide a link between macroscopic circuits and the inherently uncertain quantum world, enabling experiments that probe, control, and ultimately exploit quantum fluctuations for applications in quantum information, metrology, solid state physics and beyond.\r\n\r\n","lang":"eng"}],"year":"2025","alternative_title":["ISTA Thesis"],"file":[{"checksum":"6fb925648dfa5f4384814c552ee2f099","file_name":"2025_Trioni_Andrea_Thesis.pdf","file_id":"20392","date_updated":"2025-09-25T14:25:31Z","access_level":"open_access","date_created":"2025-09-25T07:15:05Z","content_type":"application/pdf","relation":"main_file","file_size":22351676,"creator":"atrioni"},{"creator":"atrioni","relation":"source_file","content_type":"application/x-zip-compressed","file_size":60079009,"file_name":"2025_Trioni_Andrea_Thesis.zip","file_id":"20396","checksum":"619dc614bdfbf3999b76ac8890b2cebd","date_created":"2025-09-25T14:45:43Z","access_level":"closed","date_updated":"2025-09-26T07:20:48Z"}],"ec_funded":1,"citation":{"ama":"Trioni A. High-impedance quantum circuits for mesoscopic physics: Geometric superinductors and insulating Josephson Chains. 2025. doi:10.15479/AT-ISTA-20371","mla":"Trioni, Andrea. High-Impedance Quantum Circuits for Mesoscopic Physics: Geometric Superinductors and Insulating Josephson Chains. Institute of Science and Technology Austria, 2025, doi:10.15479/AT-ISTA-20371.","chicago":"Trioni, Andrea. “High-Impedance Quantum Circuits for Mesoscopic Physics: Geometric Superinductors and Insulating Josephson Chains.” Institute of Science and Technology Austria, 2025. https://doi.org/10.15479/AT-ISTA-20371.","short":"A. Trioni, High-Impedance Quantum Circuits for Mesoscopic Physics: Geometric Superinductors and Insulating Josephson Chains, Institute of Science and Technology Austria, 2025.","ista":"Trioni A. 2025. High-impedance quantum circuits for mesoscopic physics: Geometric superinductors and insulating Josephson Chains. Institute of Science and Technology Austria.","ieee":"A. Trioni, “High-impedance quantum circuits for mesoscopic physics: Geometric superinductors and insulating Josephson Chains,” Institute of Science and Technology Austria, 2025.","apa":"Trioni, A. (2025). High-impedance quantum circuits for mesoscopic physics: Geometric superinductors and insulating Josephson Chains. Institute of Science and Technology Austria. https://doi.org/10.15479/AT-ISTA-20371"},"language":[{"iso":"eng"}],"ddc":["539"],"publication_status":"published","supervisor":[{"full_name":"Fink, Johannes M","first_name":"Johannes M","id":"4B591CBA-F248-11E8-B48F-1D18A9856A87","last_name":"Fink","orcid":"0000-0001-8112-028X"}],"acknowledgement":"I also gratefully acknowledge the generous support of the NOMIS Foundation Project \"Protected\r\nStates of Quantum Matter\" and the grant from the Beyond-C consortium. Their funding\r\nmade this research possible and gave me the freedom to ask ambitious questions, and try to\r\nanswer them.\r\n","project":[{"name":"Protected states of quantum matter","_id":"eb9b30ac-77a9-11ec-83b8-871f581d53d2"},{"_id":"bdb108fd-d553-11ed-ba76-83dc74a9864f","name":"QUANTUM INFORMATION SYSTEMS BEYOND CLASSICAL CAPABILITIES / P5- Integration of Superconducting Quantum Circuits","grant_number":"F07105"},{"grant_number":"665385","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program"}],"degree_awarded":"PhD","publisher":"Institute of Science and Technology Austria","day":"23","department":[{"_id":"GradSch"},{"_id":"JoFi"}],"corr_author":"1","page":"202","date_created":"2025-09-23T09:57:57Z","acknowledged_ssus":[{"_id":"NanoFab"},{"_id":"M-Shop"}],"has_accepted_license":"1","author":[{"first_name":"Andrea","full_name":"Trioni, Andrea","id":"42F71B44-F248-11E8-B48F-1D18A9856A87","last_name":"Trioni"}],"article_processing_charge":"No","doi_confirm":"1","oa_version":"Published Version","fulldoi":"https://doi.org/10.15479/AT-ISTA-20371","month":"09","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","article_processing_charge":"Yes (in subscription journal)","fulldoi":"https://doi.org/10.1145/3717823.3718154","quality_controlled":"1","month":"06","author":[{"id":"3827DAC8-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-7840-5062","last_name":"Avvakumov","first_name":"Sergey","full_name":"Avvakumov, Sergey"},{"id":"3E8AF77E-F248-11E8-B48F-1D18A9856A87","last_name":"Filakovský","first_name":"Marek","full_name":"Filakovský, Marek"},{"first_name":"Jakub","full_name":"Opršal, Jakub","id":"ec596741-c539-11ec-b829-c79322a91242","orcid":"0000-0003-1245-3456","last_name":"Opršal"},{"first_name":"Gianluca","full_name":"Tasinato, Gianluca","last_name":"Tasinato","id":"0433290C-AF8F-11E9-A4C7-F729E6697425"},{"full_name":"Wagner, Uli","first_name":"Uli","id":"36690CA2-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-1494-0568","last_name":"Wagner"}],"has_accepted_license":"1","corr_author":"1","date_created":"2025-07-13T22:01:23Z","page":"72-83","department":[{"_id":"UlWa"}],"day":"15","publisher":"Association for Computing Machinery","conference":{"end_date":"2025-06-27","location":"Prague, Czechia","start_date":"2025-06-23","name":"STOC: Symposium on Theory of Computing"},"project":[{"name":"Algorithms for Embeddings and Homotopy Theory","_id":"26611F5C-B435-11E9-9278-68D0E5697425","call_identifier":"FWF","grant_number":"P31312"},{"name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","call_identifier":"H2020","grant_number":"101034413"}],"acknowledgement":"This research was supported by the Austrian Science Fund (FWF project P31312-N35) and by project MSCAfellow5_MUNI (CZ.02.01.01/00/22_010/0003229) financed by the Ministry of Education, Youth and Sports of the Czech Republic. This project has also received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No 101034413.","scopus_import":"1","publication":"Proceedings of the 57th Annual ACM Symposium on Theory of Computing","publication_status":"published","language":[{"iso":"eng"}],"ddc":["000"],"citation":{"chicago":"Avvakumov, Sergey, Marek Filakovský, Jakub Opršal, Gianluca Tasinato, and Uli Wagner. “Hardness of 4-Colouring G-Colourable Graphs.” In Proceedings of the 57th Annual ACM Symposium on Theory of Computing, 72–83. Association for Computing Machinery, 2025. https://doi.org/10.1145/3717823.3718154.","ama":"Avvakumov S, Filakovský M, Opršal J, Tasinato G, Wagner U. Hardness of 4-colouring G-colourable graphs. In: Proceedings of the 57th Annual ACM Symposium on Theory of Computing. Association for Computing Machinery; 2025:72-83. doi:10.1145/3717823.3718154","mla":"Avvakumov, Sergey, et al. “Hardness of 4-Colouring G-Colourable Graphs.” Proceedings of the 57th Annual ACM Symposium on Theory of Computing, Association for Computing Machinery, 2025, pp. 72–83, doi:10.1145/3717823.3718154.","ista":"Avvakumov S, Filakovský M, Opršal J, Tasinato G, Wagner U. 2025. Hardness of 4-colouring G-colourable graphs. Proceedings of the 57th Annual ACM Symposium on Theory of Computing. STOC: Symposium on Theory of Computing, 72–83.","ieee":"S. Avvakumov, M. Filakovský, J. Opršal, G. Tasinato, and U. Wagner, “Hardness of 4-colouring G-colourable graphs,” in Proceedings of the 57th Annual ACM Symposium on Theory of Computing, Prague, Czechia, 2025, pp. 72–83.","apa":"Avvakumov, S., Filakovský, M., Opršal, J., Tasinato, G., & Wagner, U. (2025). Hardness of 4-colouring G-colourable graphs. In Proceedings of the 57th Annual ACM Symposium on Theory of Computing (pp. 72–83). Prague, Czechia: Association for Computing Machinery. https://doi.org/10.1145/3717823.3718154","short":"S. Avvakumov, M. Filakovský, J. Opršal, G. Tasinato, U. Wagner, in:, Proceedings of the 57th Annual ACM Symposium on Theory of Computing, Association for Computing Machinery, 2025, pp. 72–83."},"file":[{"success":1,"checksum":"2c9ae7ad0102c41124976f4cb5182760","file_id":"20013","file_name":"2025_STOC_Avvakumov.pdf","date_updated":"2025-07-14T06:42:58Z","access_level":"open_access","date_created":"2025-07-14T06:42:58Z","content_type":"application/pdf","relation":"main_file","file_size":940827,"creator":"dernst"}],"ec_funded":1,"year":"2025","abstract":[{"lang":"eng","text":"We study the complexity of a class of promise graph homomorphism problems. For a fixed graph H, the H-colouring problem is to decide whether a given graph has a homomorphism to H. By a result of Hell and Nešetřil, this problem is NP-hard for any non-bipartite loop-less graph H. Brakensiek and Guruswami [SODA 2018] conjectured the hardness extends to promise graph homomorphism problems as follows: fix a pair of non-bipartite loop-less graphs G, H such that there is a homomorphism from G to H, it is NP-hard to distinguish between graphs that are G-colourable and those that are not H-colourable. We confirm this conjecture in the cases when both G and H are 4-colourable. This is a common generalisation of previous results of Khanna, Linial, and Safra [Comb. 20(3): 393-415 (2000)] and of Krokhin and Opršal [FOCS 2019]. The result is obtained by combining the algebraic approach to promise constraint satisfaction with methods of topological combinatorics and equivariant obstruction theory."}],"OA_type":"hybrid","OA_place":"publisher","oa":1,"file_date_updated":"2025-07-14T06:42:58Z","title":"Hardness of 4-colouring G-colourable graphs","publication_identifier":{"isbn":["9798400715105"],"issn":["0737-8017"]},"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-06-15T00:00:00Z","doi":"10.1145/3717823.3718154","_id":"20008","date_updated":"2026-07-29T13:13:17Z","type":"conference","status":"public","related_material":{"record":[{"id":"20339","status":"public","relation":"dissertation_contains"}]}},{"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","month":"09","fulldoi":"https://doi.org/10.15479/AT-ISTA-20339","article_processing_charge":"No","oa_version":"Published Version","doi_confirm":"1","has_accepted_license":"1","author":[{"full_name":"Tasinato, Gianluca","first_name":"Gianluca","id":"0433290C-AF8F-11E9-A4C7-F729E6697425","last_name":"Tasinato"}],"date_created":"2025-09-10T12:17:55Z","license":"https://creativecommons.org/licenses/by-nc-sa/4.0/","page":"106","corr_author":"1","publisher":"Institute of Science and Technology Austria","day":"10","department":[{"_id":"GradSch"},{"_id":"UlWa"}],"degree_awarded":"PhD","supervisor":[{"first_name":"Uli","full_name":"Wagner, Uli","id":"36690CA2-F248-11E8-B48F-1D18A9856A87","last_name":"Wagner","orcid":"0000-0002-1494-0568"}],"ddc":["516"],"language":[{"iso":"eng"}],"publication_status":"published","citation":{"short":"G. Tasinato, Topological Methods in Discrete Geometry and Theoretical Computer Science: Measure Partitioning and Constraint Satisfaction Problems, Institute of Science and Technology Austria, 2025.","apa":"Tasinato, G. (2025). Topological methods in discrete geometry and theoretical computer science: Measure partitioning and constraint satisfaction problems. Institute of Science and Technology Austria. https://doi.org/10.15479/AT-ISTA-20339","ieee":"G. Tasinato, “Topological methods in discrete geometry and theoretical computer science: Measure partitioning and constraint satisfaction problems,” Institute of Science and Technology Austria, 2025.","ista":"Tasinato G. 2025. Topological methods in discrete geometry and theoretical computer science: Measure partitioning and constraint satisfaction problems. Institute of Science and Technology Austria.","ama":"Tasinato G. Topological methods in discrete geometry and theoretical computer science: Measure partitioning and constraint satisfaction problems. 2025. doi:10.15479/AT-ISTA-20339","mla":"Tasinato, Gianluca. Topological Methods in Discrete Geometry and Theoretical Computer Science: Measure Partitioning and Constraint Satisfaction Problems. Institute of Science and Technology Austria, 2025, doi:10.15479/AT-ISTA-20339.","chicago":"Tasinato, Gianluca. “Topological Methods in Discrete Geometry and Theoretical Computer Science: Measure Partitioning and Constraint Satisfaction Problems.” Institute of Science and Technology Austria, 2025. https://doi.org/10.15479/AT-ISTA-20339."},"alternative_title":["ISTA Thesis"],"file":[{"checksum":"ae097a515b9bb4d4b025ca854ae2ed76","file_name":"thesis-source.zip","file_id":"20344","date_updated":"2025-09-11T12:24:12Z","access_level":"closed","date_created":"2025-09-11T12:24:12Z","creator":"gtasinat","content_type":"application/x-zip-compressed","relation":"source_file","file_size":2218562},{"success":1,"date_updated":"2025-09-11T12:26:14Z","access_level":"open_access","date_created":"2025-09-11T12:26:14Z","checksum":"04b2e016409e52167ce42b0eef839fbf","file_id":"20345","file_name":"2025_Tasinato_Gianluca_Thesis.pdf","file_size":10071982,"content_type":"application/pdf","relation":"main_file","creator":"gtasinat"}],"year":"2025","abstract":[{"text":"This thesis investigates the interplay between algebraic and topological methods and combinatorial problems, focusing on approximate graph colourings and mass partitioning. The unifying theme throughout the dissertation is the use of continuous maps and symmetry constraints to extract combinatorial insights.\r\n\r\nWe first explore approximate graph colouring problems and more generally promise constraint satisfaction problems. Using tools from equivariant topology in combination with the general theory of polymorphism of a promise constraint satisfaction problem, we establish hardness for specific types of approximations.\r\n\r\nIn the second part, we address mass partitioning problems, where one seeks to divide geometric objects or measures in Euclidean space into parts of equal size using hyperplanes. Employing techniques from topological combinatorics (configuration space/test map setup and Borsuk–Ulam type theorems), we both obtain a new equipartitioning result in the and provide a fast algorithm for computing equipartitioning of point sets in 3D.\r\n","lang":"eng"}],"title":"Topological methods in discrete geometry and theoretical computer science: Measure partitioning and constraint satisfaction problems","file_date_updated":"2025-09-11T12:26:14Z","publication_identifier":{"issn":["2663-337X"]},"oa":1,"OA_place":"publisher","related_material":{"record":[{"relation":"part_of_dissertation","id":"20008","status":"public"},{"relation":"part_of_dissertation","status":"public","id":"15168"},{"relation":"part_of_dissertation","status":"public","id":"19860"}]},"status":"public","type":"dissertation","date_updated":"2026-07-29T13:13:18Z","_id":"20339","tmp":{"short":"CC BY-NC-SA (4.0)","image":"/images/cc_by_nc_sa.png","name":"Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode"},"doi":"10.15479/AT-ISTA-20339","date_published":"2025-09-10T00:00:00Z"},{"department":[{"_id":"LaEr"}],"day":"01","publisher":"Cambridge University Press","project":[{"_id":"62796744-2b32-11ec-9570-940b20777f1d","name":"Random matrices beyond Wigner-Dyson-Mehta","grant_number":"101020331","call_identifier":"H2020"},{"_id":"9B8B92DE-BA93-11EA-9121-9846C619BF3A","name":"Spectral rigidity and integrability for billiards and geodesic flows","grant_number":"885707","call_identifier":"H2020"}],"isi":1,"acknowledgement":"I am very grateful to Vadim Kaloshin for suggesting the topic, his guidance during this project, and many helpful comments on an earlier version of the manuscript. Moreover, I would like to thank Comlan Edmond Koudjinan and Volodymyr Riabov for interesting discussions. Partial financial support by the ERC Advanced Grant ‘RMTBeyond’ No. 101020331 is gratefully acknowledged. This project received funding from the European Research Council (ERC) ERC Grant No. 885707.","scopus_import":"1","publication":"Ergodic Theory and Dynamical Systems","publication_status":"published","article_type":"original","ddc":["510"],"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","article_processing_charge":"Yes (via OA deal)","quality_controlled":"1","fulldoi":"https://doi.org/10.1017/etds.2024.48","month":"02","author":[{"full_name":"Henheik, Sven Joscha","first_name":"Sven Joscha","last_name":"Henheik","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","orcid":"0000-0003-1106-327X"}],"has_accepted_license":"1","corr_author":"1","page":"467-503","date_created":"2024-09-22T22:01:43Z","external_id":{"isi":["001308182000001"]},"abstract":[{"lang":"eng","text":"It is conjectured that the only integrable metrics on the two-dimensional torus are Liouville metrics. In this paper, we study a deformative version of this conjecture: we consider integrable deformations of a non-flat Liouville metric in a conformal class and show that for a fairly large class of such deformations, the deformed metric is again Liouville. The principal idea of the argument is that the preservation of rational invariant tori in the foliation of the phase space forces a linear combination on the Fourier coefficients of the deformation to vanish. Showing that the resulting linear system is non-degenerate will then yield the claim. Since our method of proof immediately carries over to higher dimensional tori, we obtain analogous statements in this more general case. To put our results in perspective, we review existing results about integrable metrics on the torus."}],"OA_type":"hybrid","OA_place":"publisher","oa":1,"file_date_updated":"2025-01-13T08:51:40Z","title":"Deformational rigidity of integrable metrics on the torus","publication_identifier":{"issn":["0143-3857"],"eissn":["1469-4417"]},"volume":45,"issue":"2","doi":"10.1017/etds.2024.48","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-02-01T00:00:00Z","_id":"18112","date_updated":"2026-07-29T13:18:16Z","status":"public","type":"journal_article","related_material":{"record":[{"status":"public","id":"19540","relation":"dissertation_contains"}]},"citation":{"mla":"Henheik, Sven Joscha. “Deformational Rigidity of Integrable Metrics on the Torus.” Ergodic Theory and Dynamical Systems, vol. 45, no. 2, Cambridge University Press, 2025, pp. 467–503, doi:10.1017/etds.2024.48.","ama":"Henheik SJ. Deformational rigidity of integrable metrics on the torus. Ergodic Theory and Dynamical Systems. 2025;45(2):467-503. doi:10.1017/etds.2024.48","chicago":"Henheik, Sven Joscha. “Deformational Rigidity of Integrable Metrics on the Torus.” Ergodic Theory and Dynamical Systems. Cambridge University Press, 2025. https://doi.org/10.1017/etds.2024.48.","short":"S.J. Henheik, Ergodic Theory and Dynamical Systems 45 (2025) 467–503.","ista":"Henheik SJ. 2025. Deformational rigidity of integrable metrics on the torus. Ergodic Theory and Dynamical Systems. 45(2), 467–503.","ieee":"S. J. Henheik, “Deformational rigidity of integrable metrics on the torus,” Ergodic Theory and Dynamical Systems, vol. 45, no. 2. Cambridge University Press, pp. 467–503, 2025.","apa":"Henheik, S. J. (2025). Deformational rigidity of integrable metrics on the torus. Ergodic Theory and Dynamical Systems. Cambridge University Press. https://doi.org/10.1017/etds.2024.48"},"file":[{"success":1,"date_created":"2025-01-13T08:51:40Z","access_level":"open_access","date_updated":"2025-01-13T08:51:40Z","file_name":"2025_ErgodicTheory_Henheik.pdf","file_id":"18828","checksum":"650fe115d998fe0ac3a8d0c7519447c8","file_size":659100,"relation":"main_file","content_type":"application/pdf","creator":"dernst"}],"ec_funded":1,"intvolume":" 45","year":"2025"},{"year":"2025","citation":{"ista":"Erdös L, Henheik SJ, Kolupaiev O. 2025. Loschmidt echo for deformed Wigner matrices. Letters in Mathematical Physics. 115, 14.","ieee":"L. Erdös, S. J. Henheik, and O. Kolupaiev, “Loschmidt echo for deformed Wigner matrices,” Letters in Mathematical Physics, vol. 115. Springer Nature, 2025.","apa":"Erdös, L., Henheik, S. J., & Kolupaiev, O. (2025). Loschmidt echo for deformed Wigner matrices. Letters in Mathematical Physics. Springer Nature. https://doi.org/10.1007/s11005-025-01904-5","short":"L. Erdös, S.J. Henheik, O. Kolupaiev, Letters in Mathematical Physics 115 (2025).","chicago":"Erdös, László, Sven Joscha Henheik, and Oleksii Kolupaiev. “Loschmidt Echo for Deformed Wigner Matrices.” Letters in Mathematical Physics. Springer Nature, 2025. https://doi.org/10.1007/s11005-025-01904-5.","ama":"Erdös L, Henheik SJ, Kolupaiev O. Loschmidt echo for deformed Wigner matrices. Letters in Mathematical Physics. 2025;115. doi:10.1007/s11005-025-01904-5","mla":"Erdös, László, et al. “Loschmidt Echo for Deformed Wigner Matrices.” Letters in Mathematical Physics, vol. 115, 14, Springer Nature, 2025, doi:10.1007/s11005-025-01904-5."},"arxiv":1,"file":[{"date_updated":"2025-02-05T07:01:40Z","date_created":"2025-02-05T07:01:40Z","access_level":"open_access","checksum":"ee07edf5f85a6f2651926b2f8760af74","file_name":"2025_LettersMathPhysics_Erdoes.pdf","file_id":"19004","success":1,"creator":"dernst","file_size":828335,"content_type":"application/pdf","relation":"main_file"}],"ec_funded":1,"intvolume":" 115","volume":115,"article_number":"14","doi":"10.1007/s11005-025-01904-5","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-01-30T00:00:00Z","_id":"19001","date_updated":"2026-07-29T13:18:16Z","type":"journal_article","status":"public","related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"19540"}]},"external_id":{"pmid":["39896265"],"arxiv":["2410.08108"],"isi":["001409618800002"]},"abstract":[{"text":"We consider two Hamiltonians that are close to each other, H1≈H2, and analyze the time-decay of the corresponding Loschmidt echo M(t):=|⟨ψ0,eitH2e−itH1ψ0⟩|2 that expresses the effect of an imperfect time reversal on the initial state ψ0. Our model Hamiltonians are deformed Wigner matrices that do not share a common eigenbasis. The main tools for our results are two-resolvent laws for such H1 and H2.","lang":"eng"}],"OA_place":"publisher","OA_type":"hybrid","oa":1,"file_date_updated":"2025-02-05T07:01:40Z","title":"Loschmidt echo for deformed Wigner matrices","publication_identifier":{"issn":["1573-0530"]},"author":[{"full_name":"Erdös, László","first_name":"László","id":"4DBD5372-F248-11E8-B48F-1D18A9856A87","last_name":"Erdös","orcid":"0000-0001-5366-9603"},{"full_name":"Henheik, Sven Joscha","first_name":"Sven Joscha","orcid":"0000-0003-1106-327X","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","last_name":"Henheik"},{"first_name":"Oleksii","full_name":"Kolupaiev, Oleksii","id":"149b70d4-896a-11ed-bdf8-8c63fd44ca61","orcid":"0000-0003-1491-4623","last_name":"Kolupaiev"}],"has_accepted_license":"1","corr_author":"1","date_created":"2025-02-05T06:48:29Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","article_processing_charge":"Yes (via OA deal)","quality_controlled":"1","fulldoi":"https://doi.org/10.1007/s11005-025-01904-5","month":"01","publication":"Letters in Mathematical Physics","article_type":"original","publication_status":"published","language":[{"iso":"eng"}],"ddc":["510"],"pmid":1,"publisher":"Springer Nature","day":"30","department":[{"_id":"LaEr"}],"isi":1,"project":[{"name":"Random matrices beyond Wigner-Dyson-Mehta","_id":"62796744-2b32-11ec-9570-940b20777f1d","call_identifier":"H2020","grant_number":"101020331"}],"acknowledgement":"We thank Giorgio Cipolloni for helpful discussions in a closely related joint project. Open access funding provided by Institute of Science and Technology (IST Austria). All authors were supported by the ERC Advanced Grant “RMTBeyond” No. 101020331.","scopus_import":"1"},{"year":"2025","arxiv":1,"citation":{"apa":"Henheik, S. J., & Lauritsen, A. B. (2025). Universal behavior of the BCS energy gap. Journal of Spectral Theory. EMS Press. https://doi.org/10.4171/JST/540","ista":"Henheik SJ, Lauritsen AB. 2025. Universal behavior of the BCS energy gap. Journal of Spectral Theory. 15(1), 305–352.","ieee":"S. J. Henheik and A. B. Lauritsen, “Universal behavior of the BCS energy gap,” Journal of Spectral Theory, vol. 15, no. 1. EMS Press, pp. 305–352, 2025.","short":"S.J. Henheik, A.B. Lauritsen, Journal of Spectral Theory 15 (2025) 305–352.","chicago":"Henheik, Sven Joscha, and Asbjørn Bækgaard Lauritsen. “Universal Behavior of the BCS Energy Gap.” Journal of Spectral Theory. EMS Press, 2025. https://doi.org/10.4171/JST/540.","ama":"Henheik SJ, Lauritsen AB. Universal behavior of the BCS energy gap. Journal of Spectral Theory. 2025;15(1):305–352. doi:10.4171/JST/540","mla":"Henheik, Sven Joscha, and Asbjørn Bækgaard Lauritsen. “Universal Behavior of the BCS Energy Gap.” Journal of Spectral Theory, vol. 15, no. 1, EMS Press, 2025, pp. 305–352, doi:10.4171/JST/540."},"intvolume":" 15","ec_funded":1,"DOAJ_listed":"1","file":[{"creator":"cchlebak","content_type":"application/pdf","relation":"main_file","file_size":779158,"checksum":"f49e06e8dba819f7ad52a202e287ebca","file_name":"Henheik_JSpectralTheory_2025.pdf","file_id":"19549","date_updated":"2025-04-11T09:13:31Z","date_created":"2025-04-11T09:13:31Z","access_level":"open_access","success":1}],"issue":"1","volume":15,"status":"public","type":"journal_article","related_material":{"record":[{"status":"public","id":"19540","relation":"dissertation_contains"}]},"date_updated":"2026-07-29T13:18:17Z","_id":"19548","doi":"10.4171/JST/540","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-01-09T00:00:00Z","abstract":[{"lang":"eng","text":"We consider the BCS energy gap „.T / (essentially given by „.T / \u0019 .T; p\u0016/,\r\nthe BCS order parameter) at all temperatures 0 \u0014 T \u0014 Tc up to the critical one, Tc, and show\r\nthat, in the limit of weak coupling, the ratio „.T /=Tc is given by a universal function of the relative temperature T =Tc. On the one hand, this recovers a recent result by Langmann and Triola\r\n[Phys. Rev. B 108 (2023), no. 10, article no. 104503] on three-dimensional s-wave superconductors for temperatures bounded uniformly away from Tc. On the other hand, our result lifts these\r\nrestrictions, as we consider arbitrary spatial dimensions d 2 ¹1; 2; 3º, discuss superconductors\r\nwith non-zero angular momentum (primarily in two dimensions), and treat the perhaps physically most interesting (due to the occurrence of the superconducting phase transition) regime of\r\ntemperatures close to Tc.\r\n\r\n\r\n ."}],"external_id":{"arxiv":["2312.11310"],"isi":["001438931600009"]},"file_date_updated":"2025-04-11T09:13:31Z","publication_identifier":{"eissn":["1664-0403"]},"title":"Universal behavior of the BCS energy gap","oa":1,"OA_type":"gold","OA_place":"publisher","has_accepted_license":"1","author":[{"full_name":"Henheik, Sven Joscha","first_name":"Sven Joscha","orcid":"0000-0003-1106-327X","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","last_name":"Henheik"},{"full_name":"Lauritsen, Asbjørn Bækgaard","first_name":"Asbjørn Bækgaard","id":"e1a2682f-dc8d-11ea-abe3-81da9ac728f1","last_name":"Lauritsen","orcid":"0000-0003-4476-2288"}],"page":"305–352","date_created":"2025-04-11T09:19:28Z","corr_author":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","fulldoi":"https://doi.org/10.4171/JST/540","quality_controlled":"1","month":"01","article_processing_charge":"No","oa_version":"Published Version","publication":"Journal of Spectral Theory","ddc":["500"],"language":[{"iso":"eng"}],"publication_status":"published","article_type":"original","department":[{"_id":"LaEr"},{"_id":"RoSe"}],"publisher":"EMS Press","day":"09","scopus_import":"1","acknowledgement":"We thank Andreas Deuchert, Christian Hainzl, Edwin Langmann, Marius Lemm, Robert Seiringer, and Jan Philip Solovej for helpful discussions,\r\nand Edwin Langmann and Robert Seiringer for valuable comments on an earlier version of the manuscript.\r\nFunding. Joscha Henheik gratefully acknowledges partial financial support by the\r\nERC Advanced Grant “RMTBeyond” No. 101020331. Asbjørn Bækgaard Lauritsen\r\ngratefully acknowledges partial financial support by the Austrian Science Fund (FWF)\r\nthrough grant DOI 10.55776/I6427 (as part of the SFB/TRR 352).\r\n","isi":1,"project":[{"name":"Random matrices beyond Wigner-Dyson-Mehta","_id":"62796744-2b32-11ec-9570-940b20777f1d","call_identifier":"H2020","grant_number":"101020331"},{"grant_number":"I06427","name":"Mathematical Challenges in BCS Theory of Superconductivity","_id":"bda63fe5-d553-11ed-ba76-a16e3d2f256b"}]},{"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","fulldoi":"https://doi.org/10.1007/s00023-024-01518-y","month":"06","quality_controlled":"1","article_processing_charge":"Yes (via OA deal)","oa_version":"Published Version","has_accepted_license":"1","author":[{"id":"4DBD5372-F248-11E8-B48F-1D18A9856A87","last_name":"Erdös","orcid":"0000-0001-5366-9603","first_name":"László","full_name":"Erdös, László"},{"first_name":"Sven Joscha","full_name":"Henheik, Sven Joscha","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","orcid":"0000-0003-1106-327X","last_name":"Henheik"},{"last_name":"Reker","id":"e796e4f9-dc8d-11ea-abe3-97e26a0323e9","full_name":"Reker, Jana","first_name":"Jana"},{"id":"1949f904-edfb-11eb-afb5-e2dfddabb93b","last_name":"Riabov","full_name":"Riabov, Volodymyr","first_name":"Volodymyr"}],"date_created":"2025-01-05T23:01:59Z","page":"1991-2033","corr_author":"1","department":[{"_id":"LaEr"}],"publisher":"Springer Nature","day":"01","scopus_import":"1","acknowledgement":"All authors were supported by the ERC Advanced Grant “RMTBeyond” No. 101020331.\r\nJ.R. was additionally supported by the ERC Advanced Grant “LDRaM” No. 884584.\r\nWe thank Peter Reimann and Lennart Dabelow for helpful comments. Open access funding provided by Institute of Science and Technology (IST Austria).","isi":1,"project":[{"_id":"62796744-2b32-11ec-9570-940b20777f1d","name":"Random matrices beyond Wigner-Dyson-Mehta","grant_number":"101020331","call_identifier":"H2020"}],"publication":"Annales Henri Poincare","language":[{"iso":"eng"}],"ddc":["510"],"publication_status":"published","article_type":"original","arxiv":1,"citation":{"chicago":"Erdös, László, Sven Joscha Henheik, Jana Reker, and Volodymyr Riabov. “Prethermalization for Deformed Wigner Matrices.” Annales Henri Poincare. Springer Nature, 2025. https://doi.org/10.1007/s00023-024-01518-y.","ama":"Erdös L, Henheik SJ, Reker J, Riabov V. Prethermalization for deformed Wigner matrices. Annales Henri Poincare. 2025;26:1991-2033. doi:10.1007/s00023-024-01518-y","mla":"Erdös, László, et al. “Prethermalization for Deformed Wigner Matrices.” Annales Henri Poincare, vol. 26, Springer Nature, 2025, pp. 1991–2033, doi:10.1007/s00023-024-01518-y.","ieee":"L. Erdös, S. J. Henheik, J. Reker, and V. Riabov, “Prethermalization for deformed Wigner matrices,” Annales Henri Poincare, vol. 26. Springer Nature, pp. 1991–2033, 2025.","ista":"Erdös L, Henheik SJ, Reker J, Riabov V. 2025. Prethermalization for deformed Wigner matrices. Annales Henri Poincare. 26, 1991–2033.","apa":"Erdös, L., Henheik, S. J., Reker, J., & Riabov, V. (2025). Prethermalization for deformed Wigner matrices. Annales Henri Poincare. Springer Nature. https://doi.org/10.1007/s00023-024-01518-y","short":"L. Erdös, S.J. Henheik, J. Reker, V. Riabov, Annales Henri Poincare 26 (2025) 1991–2033."},"intvolume":" 26","ec_funded":1,"file":[{"access_level":"open_access","date_created":"2025-06-25T05:38:34Z","date_updated":"2025-06-25T05:38:34Z","file_name":"2025_AnnalesHenriPoincare_Erdoes.pdf","file_id":"19895","checksum":"49e6a934db540206f7eaa0c798553ded","success":1,"creator":"dernst","file_size":977773,"relation":"main_file","content_type":"application/pdf"}],"year":"2025","abstract":[{"lang":"eng","text":"We prove that a class of weakly perturbed Hamiltonians of the form H_λ= H_0 + λW, with W being a Wigner matrix, exhibits prethermalization. That is, the time evolution generated by H_λ relaxes to its ultimate thermal state via an intermediate prethermal state with a lifetime of order λ^{-2}. Moreover, we obtain a general relaxation formula, expressing the perturbed dynamics via the unperturbed dynamics and the ultimate thermal state. The proof relies on a two-resolvent law for the deformed Wigner matrix H_λ."}],"external_id":{"isi":["001385326500001"],"arxiv":["2310.06677"]},"title":"Prethermalization for deformed Wigner matrices","file_date_updated":"2025-06-25T05:38:34Z","publication_identifier":{"issn":["1424-0637"]},"oa":1,"OA_type":"hybrid","OA_place":"publisher","volume":26,"status":"public","type":"journal_article","related_material":{"record":[{"relation":"earlier_version","id":"17174","status":"public"},{"status":"public","id":"20575","relation":"dissertation_contains"},{"status":"public","id":"19540","relation":"dissertation_contains"}]},"date_updated":"2026-07-29T13:18:17Z","_id":"18764","date_published":"2025-06-01T00:00:00Z","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"doi":"10.1007/s00023-024-01518-y"},{"day":"28","department":[{"_id":"LaEr"}],"acknowledgement":"JH gratefully acknowledges partial financial support by the ERC Advanced\r\nGrant “RMTBeyond” No. 101020331.","project":[{"_id":"62796744-2b32-11ec-9570-940b20777f1d","name":"Random matrices beyond Wigner-Dyson-Mehta","grant_number":"101020331","call_identifier":"H2020"}],"publication":"arXiv","language":[{"iso":"eng"}],"publication_status":"draft","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","fulldoi":"https://doi.org/10.48550/arXiv.2409.00677","month":"02","article_processing_charge":"No","oa_version":"Preprint","author":[{"id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","last_name":"Henheik","orcid":"0000-0003-1106-327X","first_name":"Sven Joscha","full_name":"Henheik, Sven Joscha"},{"first_name":"Bipul","full_name":"Poudyal, Bipul","last_name":"Poudyal"},{"last_name":"Tumulka","first_name":"Roderich","full_name":"Tumulka, Roderich"}],"date_created":"2025-04-11T12:07:25Z","corr_author":"1","abstract":[{"text":"Particle creation terms in quantum Hamiltonians are usually ultraviolet\r\ndivergent and thus mathematically ill defined. A rather novel way of solving\r\nthis problem is based on imposing so-called interior-boundary conditions on the\r\nwave function. Previous papers showed that this approach works in the\r\nnon-relativistic regime, but particle creation is mostly relevant in the\r\nrelativistic case after all. In flat relativistic space-time (that is,\r\nneglecting gravity), the approach was previously found to work only for certain\r\nsomewhat artificial cases. Here, as a way of taking gravity into account, we\r\nconsider curved space-time, specifically the super-critical\r\nReissner-Nordstr\\\"om space-time, which features a naked timelike singularity.\r\nWe find that the interior-boundary approach works fully in this setting; in\r\nparticular, we prove rigorously the existence of well-defined, self-adjoint\r\nHamiltonians with particle creation at the singularity, based on\r\ninterior-boundary conditions. We also non-rigorously analyze the asymptotic\r\nbehavior of the Bohmian trajectories and construct the corresponding Bohm-Bell\r\nprocess of particle creation, motion, and annihilation. The upshot is that in\r\nquantum physics, a naked space-time singularity need not lead to a breakdown of\r\nphysical laws, but on the contrary allows for boundary conditions governing\r\nwhat comes out of the singularity and thereby removing the ultraviolet\r\ndivergence.","lang":"eng"}],"external_id":{"arxiv":["2409.00677"]},"title":"How a space-time singularity helps remove the ultraviolet divergence problem","oa":1,"OA_place":"repository","status":"public","related_material":{"record":[{"relation":"dissertation_contains","id":"19540","status":"public"}]},"type":"preprint","date_updated":"2026-07-29T13:18:16Z","_id":"19552","doi":"10.48550/arXiv.2409.00677","date_published":"2025-02-28T00:00:00Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2409.00677"}],"arxiv":1,"citation":{"ieee":"S. J. Henheik, B. Poudyal, and R. Tumulka, “How a space-time singularity helps remove the ultraviolet divergence problem,” arXiv. .","ista":"Henheik SJ, Poudyal B, Tumulka R. How a space-time singularity helps remove the ultraviolet divergence problem. arXiv, 10.48550/arXiv.2409.00677.","apa":"Henheik, S. J., Poudyal, B., & Tumulka, R. (n.d.). How a space-time singularity helps remove the ultraviolet divergence problem. arXiv. https://doi.org/10.48550/arXiv.2409.00677","short":"S.J. Henheik, B. Poudyal, R. Tumulka, ArXiv (n.d.).","chicago":"Henheik, Sven Joscha, Bipul Poudyal, and Roderich Tumulka. “How a Space-Time Singularity Helps Remove the Ultraviolet Divergence Problem.” ArXiv, n.d. https://doi.org/10.48550/arXiv.2409.00677.","mla":"Henheik, Sven Joscha, et al. “How a Space-Time Singularity Helps Remove the Ultraviolet Divergence Problem.” ArXiv, doi:10.48550/arXiv.2409.00677.","ama":"Henheik SJ, Poudyal B, Tumulka R. How a space-time singularity helps remove the ultraviolet divergence problem. arXiv. doi:10.48550/arXiv.2409.00677"},"ec_funded":1,"year":"2025"},{"OA_type":"hybrid","OA_place":"publisher","title":"Token-driven totally asymmetric simple exclusion processes","publication_identifier":{"eissn":["2470-0053"],"issn":["2470-0045"]},"file_date_updated":"2025-06-03T09:18:20Z","oa":1,"abstract":[{"lang":"eng","text":"We consider a family of totally asymmetric simple exclusion processes (TASEPs), consisting of particles on a lattice that require binding by a “token” in various physical configurations to advance over the lattice. Using a combination of theory and simulations, we address the following questions: (i) How does token binding kinetics affect the current-density relation on the lattice? (ii) How does this current-density relation depend on the scarcity of tokens? (iii) How do tokens propagate the effects of the locally imposed disorder (such as a slow site) over the entire lattice? (iv) How does a shared pool of tokens couple concurrent TASEPs running on multiple lattices? and (v) How do our results translate to TASEPs with open boundaries that exchange particles with the reservoir? Since real particle motion (including in biological systems that inspired the standard TASEP model, e.g., protein synthesis or movement of molecular motors) is often catalyzed, regulated, actuated, or otherwise mediated, the token-driven TASEP dynamics analyzed in this paper should allow for a better understanding of real systems and enable a closer match between TASEP theory and experimental observations."}],"external_id":{"isi":["001496415600007"]},"_id":"19785","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"date_published":"2025-05-19T00:00:00Z","doi":"10.1103/physreve.111.054122","type":"journal_article","status":"public","related_material":{"record":[{"relation":"research_data","id":"19658","status":"public"},{"status":"public","id":"10579","relation":"earlier_version"}]},"date_updated":"2026-08-04T08:34:22Z","volume":111,"issue":"5","article_number":"054122","file":[{"date_updated":"2025-06-03T09:18:20Z","access_level":"open_access","date_created":"2025-06-03T09:18:20Z","checksum":"e8851ccd7cd0525c08c7308710413e74","file_name":"2025_PhysRevE_Kavcic.pdf","file_id":"19787","success":1,"creator":"dernst","file_size":2766143,"content_type":"application/pdf","relation":"main_file"}],"intvolume":" 111","citation":{"short":"B. Kavcic, G. Tkačik, Physical Review E 111 (2025).","ista":"Kavcic B, Tkačik G. 2025. Token-driven totally asymmetric simple exclusion processes. Physical Review E. 111(5), 054122.","ieee":"B. Kavcic and G. Tkačik, “Token-driven totally asymmetric simple exclusion processes,” Physical Review E, vol. 111, no. 5. American Physical Society, 2025.","apa":"Kavcic, B., & Tkačik, G. (2025). Token-driven totally asymmetric simple exclusion processes. Physical Review E. American Physical Society. https://doi.org/10.1103/physreve.111.054122","mla":"Kavcic, Bor, and Gašper Tkačik. “Token-Driven Totally Asymmetric Simple Exclusion Processes.” Physical Review E, vol. 111, no. 5, 054122, American Physical Society, 2025, doi:10.1103/physreve.111.054122.","ama":"Kavcic B, Tkačik G. Token-driven totally asymmetric simple exclusion processes. Physical Review E. 2025;111(5). doi:10.1103/physreve.111.054122","chicago":"Kavcic, Bor, and Gašper Tkačik. “Token-Driven Totally Asymmetric Simple Exclusion Processes.” Physical Review E. American Physical Society, 2025. https://doi.org/10.1103/physreve.111.054122."},"year":"2025","acknowledgement":"B.K. thanks Stefano Elefante, Simon Rella, and Michal Hledík for their help with the usage of the cluster. B.K. additionally thanks Călin Guet and his group for help and advice. We thank M. Hennessey-Wesen and Luca Ciandrini for constructive comments on the paper. We thank Ankita Gupta (Indian Institute of Technology) for spotting a typographical error in Eq. (50) in the preprint version of this paper.","isi":1,"scopus_import":"1","publisher":"American Physical Society","day":"19","department":[{"_id":"GaTk"}],"ddc":["570"],"language":[{"iso":"eng"}],"article_type":"original","publication_status":"published","publication":"Physical Review E","article_processing_charge":"Yes (via OA deal)","oa_version":"Published Version","month":"05","fulldoi":"https://doi.org/10.1103/physreve.111.054122","quality_controlled":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","corr_author":"1","date_created":"2025-06-03T09:01:55Z","has_accepted_license":"1","author":[{"id":"350F91D2-F248-11E8-B48F-1D18A9856A87","last_name":"Kavcic","orcid":"0000-0001-6041-254X","full_name":"Kavcic, Bor","first_name":"Bor"},{"orcid":"0000-0002-6699-1455","id":"3D494DCA-F248-11E8-B48F-1D18A9856A87","last_name":"Tkačik","first_name":"Gašper","full_name":"Tkačik, Gašper"}]},{"ddc":["572"],"department":[{"_id":"GradSch"},{"_id":"PaSc"}],"day":"18","publisher":"Institute of Science and Technology Austria","project":[{"grant_number":"26777","_id":"7be609c4-9f16-11ee-852c-85015ce2b9b0","name":"Exploring protein dynamics by solid-state MAS NMR through specific labeling approaches"}],"acknowledgement":"We thank Nikolai R. Skrynnikov and Olga O. Lebedenko (St. Petersburg) for insightful discussions and for performing exploratory MD simulations. We are grateful to Tobias Schubeis (Lyon) for advice with GB1 crystallization, and Rebecca Schmid for initial crystallization trials.\r\nWe thank Sebastian Falkner for assistance with constructing the structural model of the IgG:GB1 complex.\r\nThis research was supported by the Scientific Service Units (SSU) of Institute of Science and Technology Austria (ISTA) through resources provided by the Nuclear Magnetic Resonance and the Lab Support Facilities. We thank Petra Rovó and Margarita Valhondo Falcón for excellent support of the NMR facility.\r\nLea M. Becker is recipient of a DOC fellowship of the Austrian Academy of Sciences at the Institute of Science and Technology Austria (grant no. PR10660EAW01). Christophe Chipot acknowledges the European Research Council (grant project 101097272 ``MilliInMicro'') and the Métropole du Grand Nancy (grant project ``ARC''). BM07-FIP2 is supported by the French ANR PIA3 (France 2030) EquipEx+ project MAGNIFIX under grant agreement ANR-21-ESRE-0011.","contributor":[{"first_name":"Haohao ","contributor_type":"researcher","last_name":"Fu"},{"last_name":"Tatman","id":"71cda2f3-e604-11ee-a1df-da10587eda3f","contributor_type":"researcher","first_name":"Benjamin"},{"last_name":"Dreydoppel","contributor_type":"researcher","first_name":"Matthias"},{"contributor_type":"researcher","first_name":"Anna","id":"9fb2a840-89e1-11ee-a8b7-cc5c7ba62471","last_name":"Kapitonova"},{"orcid":"0000-0001-7597-043X","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E","last_name":"Balazs","first_name":"Daniel","contributor_type":"researcher"},{"last_name":"Weininger","first_name":"Ulrich","contributor_type":"researcher"},{"last_name":"Engilberge","first_name":"Sylvain","contributor_type":"researcher"},{"last_name":"Chipot","contributor_type":"researcher","first_name":"Christophe"}],"author":[{"last_name":"Becker","id":"36336939-eb97-11eb-a6c2-c83f1214ca79","orcid":"0000-0002-6401-5151","full_name":"Becker, Lea Marie","first_name":"Lea Marie"},{"first_name":"Paul","full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","last_name":"Schanda"}],"has_accepted_license":"1","corr_author":"1","acknowledged_ssus":[{"_id":"NMR"},{"_id":"LifeSc"}],"date_created":"2025-11-13T09:29:58Z","license":"https://creativecommons.org/licenses/by-nc/4.0/","user_id":"68b8ca59-c5b3-11ee-8790-cd641c68093d","oa_version":"Published Version","article_processing_charge":"No","fulldoi":"https://doi.org/10.15479/AT-ISTA-20641","month":"11","tmp":{"image":"/images/cc_by_nc.png","name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","short":"CC BY-NC (4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode"},"date_published":"2025-11-18T00:00:00Z","doi":"10.15479/AT-ISTA-20641","_id":"20641","date_updated":"2026-08-04T09:32:44Z","related_material":{"record":[{"id":"21145","status":"public","relation":"later_version"},{"relation":"used_in_publication","status":"public","id":"22105"}]},"status":"public","type":"research_data","abstract":[{"text":"Protein conformational energy landscapes are shaped not only by intramolecular interactions but also by their environment. In protein crystals and protein-protein complexes, intermolecular contacts alter this energy landscape, but the exact nature of this alteration is difficult to decipher. Understanding how the crystal lattice affects protein dynamics is crucial for crystallography-based studies of motion, yet its influence on collective motions remains unclear. Aromatic ring flips in the hydrophobic core represent sensitive probes of such dynamics. Here, we compare the kinetics of aromatic ring flips in the protein GB1 in crystals, in complex with its binding partner IgG, and in solution, combining advanced isotope labeling with quantitative NMR methods. We show that rings in the core flip nearly a thousand times less frequently in crystals than in solution. Enhanced-sampling molecular dynamics simulations, based on a new crystal structure, reproduce these elevated barriers and reveal how the crystal restrains motions. ","lang":"eng"}],"oa":1,"title":"Data for \"Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes\"","file_date_updated":"2026-02-17T10:16:57Z","year":"2025","citation":{"mla":"Becker, Lea Marie, and Paul Schanda. Data for “Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.” Institute of Science and Technology Austria, 2025, doi:10.15479/AT-ISTA-20641.","ama":"Becker LM, Schanda P. Data for “Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.” 2025. doi:10.15479/AT-ISTA-20641","chicago":"Becker, Lea Marie, and Paul Schanda. “Data for ‘Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.’” Institute of Science and Technology Austria, 2025. https://doi.org/10.15479/AT-ISTA-20641.","short":"L.M. Becker, P. Schanda, (2025).","apa":"Becker, L. M., & Schanda, P. (2025). Data for “Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.” Institute of Science and Technology Austria. https://doi.org/10.15479/AT-ISTA-20641","ieee":"L. M. Becker and P. Schanda, “Data for ‘Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes.’” Institute of Science and Technology Austria, 2025.","ista":"Becker LM, Schanda P. 2025. Data for ‘Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-20641."},"file":[{"relation":"main_file","content_type":"application/zip","file_size":1806589513,"creator":"lbecker","file_id":"20643","file_name":"Research_Data.zip","checksum":"a73a0550c644957e7f62241e239d3a1d","access_level":"open_access","date_created":"2025-11-13T09:38:35Z","date_updated":"2026-02-17T10:16:57Z"},{"checksum":"7176b257f753c213a0460ee06f802363","file_id":"20652","file_name":"README.pdf","date_updated":"2026-02-17T10:16:57Z","date_created":"2025-11-17T11:54:17Z","access_level":"open_access","creator":"lbecker","content_type":"application/pdf","relation":"table_of_contents","file_size":191376}]},{"year":"2025","das_tickbox":"1","intvolume":" 391","file":[{"content_type":"application/pdf","relation":"main_file","file_size":650021,"creator":"dernst","success":1,"checksum":"dcf57a8b01332c36e0cf2b0d1aeecb36","file_id":"19579","file_name":"2025_MathAnnalen_Glas.pdf","date_updated":"2025-04-16T09:38:55Z","date_created":"2025-04-16T09:38:55Z","access_level":"open_access"}],"arxiv":1,"researchdata_availability":"no","citation":{"ieee":"J. Glas and L. Hochfilzer, “On a question of Davenport and diagonal cubic forms over Fq(t),” Mathematische Annalen, vol. 391. Springer Nature, pp. 5485–5533, 2025.","ista":"Glas J, Hochfilzer L. 2025. On a question of Davenport and diagonal cubic forms over Fq(t). Mathematische Annalen. 391, 5485–5533.","apa":"Glas, J., & Hochfilzer, L. (2025). On a question of Davenport and diagonal cubic forms over Fq(t). Mathematische Annalen. Springer Nature. https://doi.org/10.1007/s00208-024-03035-z","short":"J. Glas, L. Hochfilzer, Mathematische Annalen 391 (2025) 5485–5533.","chicago":"Glas, Jakob, and Leonhard Hochfilzer. “On a Question of Davenport and Diagonal Cubic Forms over Fq(T).” Mathematische Annalen. Springer Nature, 2025. https://doi.org/10.1007/s00208-024-03035-z.","mla":"Glas, Jakob, and Leonhard Hochfilzer. “On a Question of Davenport and Diagonal Cubic Forms over Fq(T).” Mathematische Annalen, vol. 391, Springer Nature, 2025, pp. 5485–533, doi:10.1007/s00208-024-03035-z.","ama":"Glas J, Hochfilzer L. On a question of Davenport and diagonal cubic forms over Fq(t). Mathematische Annalen. 2025;391:5485-5533. doi:10.1007/s00208-024-03035-z"},"date_updated":"2026-08-06T10:33:33Z","type":"journal_article","related_material":{"record":[{"relation":"earlier_version","status":"public","id":"18293"}]},"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"doi":"10.1007/s00208-024-03035-z","date_published":"2025-04-01T00:00:00Z","_id":"18705","volume":391,"oa":1,"file_date_updated":"2025-04-16T09:38:55Z","publication_identifier":{"eissn":["1432-1807"],"issn":["0025-5831"]},"title":"On a question of Davenport and diagonal cubic forms over Fq(t)","OA_place":"publisher","OA_type":"hybrid","external_id":{"arxiv":["2208.05422"],"isi":["001376740400001"]},"abstract":[{"lang":"eng","text":"Given a non-singular diagonal cubic hypersurface X⊂Pn−1 over Fq(t) with char(Fq)≠3, we show that the number of rational points of height at most |P| is O(|P|3+ε) for n=6 and O(|P|2+ε) for n=4. In fact, if n=4 and char(Fq)>3 we prove that the number of rational points away from any rational line contained in X is bounded by O(|P|3/2+ε). From the result in 6 variables we deduce weak approximation for diagonal cubic hypersurfaces for n≥7 over Fq(t) when char(Fq)>3 and handle Waring's problem for cubes in 7 variables over Fq(t) when char(Fq)≠3. Our results answer a question of Davenport regarding the number of solutions of bounded height to x31+x32+x33=x34+x35+x36 with xi∈Fq[t]."}],"page":"5485-5533","date_created":"2024-12-22T23:01:48Z","corr_author":"1","author":[{"id":"d6423cba-dc74-11ea-a0a7-ee61689ff5fb","last_name":"Glas","full_name":"Glas, Jakob","first_name":"Jakob"},{"last_name":"Hochfilzer","full_name":"Hochfilzer, Leonhard","first_name":"Leonhard"}],"has_accepted_license":"1","supplementarymaterial":"no","fulldoi":"https://doi.org/10.1007/s00208-024-03035-z","quality_controlled":"1","month":"04","oa_version":"Published Version","article_processing_charge":"Yes (via OA deal)","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","article_type":"original","publication_status":"published","ddc":["510"],"language":[{"iso":"eng"}],"publication":"Mathematische Annalen","dataavailabilitystatement":"Data sharing is not applicable to this article as no datasets were generated or analysed\r\nduring the current study.","scopus_import":"1","isi":1,"acknowledgement":"Open Access funding enabled and organized by Projekt DEAL.\r\nThe authors would like to thank Tim Browning for suggesting this project. Further they are grateful for his and Damaris Schindler’s helpful comments. We would also like to thank Efthymios Sofos for bringing Davenport’s question to our attention and Keith Matthews for providing us with scanned copies of the original correspondence. Finally we would like to thank the reviewer for helpful comments.","department":[{"_id":"TiBr"}],"day":"01","publisher":"Springer Nature"},{"external_id":{"isi":["001389959100009"],"pmid":["39747013"]},"abstract":[{"text":"Feature selection is essential in the analysis of molecular systems and many other fields, but several uncertainties remain: What is the optimal number of features for a simplified, interpretable model that retains essential information? How should features with different units be aligned, and how should their relative importance be weighted? Here, we introduce the Differentiable Information Imbalance (DII), an automated method to rank information content between sets of features. Using distances in a ground truth feature space, DII identifies a low-dimensional subset of features that best preserves these relationships. Each feature is scaled by a weight, which is optimized by minimizing the DII through gradient descent. This allows simultaneously performing unit alignment and relative importance scaling, while preserving interpretability. DII can also produce sparse solutions and determine the optimal size of the reduced feature space. We demonstrate the usefulness of this approach on two benchmark molecular problems: (1) identifying collective variables that describe conformations of a biomolecule, and (2) selecting features for training a machine-learning force field. These results show the potential of DII in addressing feature selection challenges and optimizing dimensionality in various applications. The method is available in the Python library DADApy.","lang":"eng"}],"oa":1,"file_date_updated":"2025-01-14T06:59:25Z","publication_identifier":{"eissn":["2041-1723"]},"title":"Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance","OA_type":"gold","OA_place":"publisher","article_number":"270","volume":16,"date_updated":"2026-08-07T09:43:12Z","status":"public","type":"journal_article","doi":"10.1038/s41467-024-55449-7","tmp":{"short":"CC BY-NC-ND (4.0)","image":"/images/cc_by_nc_nd.png","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"},"date_published":"2025-01-02T00:00:00Z","_id":"18820","researchdata_availability":"yes","citation":{"ama":"Wild R, Wodaczek F, Del Tatto V, Cheng B, Laio A. Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance. Nature Communications. 2025;16. doi:10.1038/s41467-024-55449-7","mla":"Wild, Romina, et al. “Automatic Feature Selection and Weighting in Molecular Systems Using Differentiable Information Imbalance.” Nature Communications, vol. 16, 270, Springer Nature, 2025, doi:10.1038/s41467-024-55449-7.","chicago":"Wild, Romina, Felix Wodaczek, Vittorio Del Tatto, Bingqing Cheng, and Alessandro Laio. “Automatic Feature Selection and Weighting in Molecular Systems Using Differentiable Information Imbalance.” Nature Communications. Springer Nature, 2025. https://doi.org/10.1038/s41467-024-55449-7.","short":"R. Wild, F. Wodaczek, V. Del Tatto, B. Cheng, A. Laio, Nature Communications 16 (2025).","ieee":"R. Wild, F. Wodaczek, V. Del Tatto, B. Cheng, and A. Laio, “Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance,” Nature Communications, vol. 16. Springer Nature, 2025.","ista":"Wild R, Wodaczek F, Del Tatto V, Cheng B, Laio A. 2025. Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance. Nature Communications. 16, 270.","apa":"Wild, R., Wodaczek, F., Del Tatto, V., Cheng, B., & Laio, A. (2025). Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-024-55449-7"},"das_tickbox":"1","intvolume":" 16","DOAJ_listed":"1","file":[{"success":1,"file_id":"18846","file_name":"2025_NatureComm_Wild.pdf","checksum":"b3d0f3568d9a87c494cf231a5324029a","access_level":"open_access","date_created":"2025-01-14T06:59:25Z","date_updated":"2025-01-14T06:59:25Z","relation":"main_file","content_type":"application/pdf","file_size":1216738,"creator":"dernst"}],"year":"2025","day":"02","department":[{"_id":"AnSa"},{"_id":"BiCh"}],"publisher":"Springer Nature","pmid":1,"scopus_import":"1","isi":1,"acknowledgement":"The authors thank Dr. Matteo Carli for providing the CLN025 replica exchange MD trajectory and Matteo Allione for the fruitful discussions connected with the idea of the linear scaling estimator. This work was partially funded by NextGenerationEU through the Italian National Centre for HPC, Big Data, and Quantum Computing (Grant No. CN00000013 received by A.L.). A.L. also acknowledges financial support by the region Friuli Venezia Giulia (project F53C22001770002 received by A.L.).","publication":"Nature Communications","dataavailabilitystatement":"The data generated by feature selection in this study have been deposited on OSF at the following URL: https://osf.io/swtg5. The processed molecular dynamics and H2O structure data are also available at OSF. The data files necessary for carrying out all analyses and source data are available at the same OSF URL. Source data are provided with this paper.","article_type":"original","publication_status":"published","ddc":["570"],"language":[{"iso":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","fulldoi":"https://doi.org/10.1038/s41467-024-55449-7","quality_controlled":"1","supplementarymaterial":"no","month":"01","oa_version":"Published Version","article_processing_charge":"Yes","author":[{"full_name":"Wild, Romina","first_name":"Romina","last_name":"Wild"},{"first_name":"Felix","full_name":"Wodaczek, Felix","orcid":"0009-0000-1457-795X","last_name":"Wodaczek","id":"8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e"},{"first_name":"Vittorio","full_name":"Del Tatto, Vittorio","last_name":"Del Tatto"},{"last_name":"Cheng","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","orcid":"0000-0002-3584-9632","first_name":"Bingqing","full_name":"Cheng, Bingqing"},{"first_name":"Alessandro","full_name":"Laio, Alessandro","last_name":"Laio"}],"has_accepted_license":"1","date_created":"2025-01-12T23:04:00Z","license":"https://creativecommons.org/licenses/by-nc-nd/4.0/"},{"oa":1,"publication_identifier":{"issn":["1549-9618"],"eissn":["1549-9626"]},"title":"A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials","OA_type":"green","OA_place":"repository","external_id":{"arxiv":["2507.14302"],"pmid":["41368735 "]},"abstract":[{"lang":"eng","text":"Most current machine learning interatomic potentials (MLIPs) rely on short-range approximations, without explicit treatment of long-range electrostatics. To address this, we recently developed the Latent Ewald Summation (LES) method, which infers electrostatic interactions, polarization, and Born effective charges (BECs), just by learning from energy and force training data. Here, we present LES as a standalone library, compatible with any short-range MLIP, and demonstrate its integration with methods such as MACE, NequIP, Allegro, CACE, CHGNet, and UMA. We benchmark LES-enhanced models on distinct systems, including bulk water, polar dipeptides, and gold dimer adsorption on defective substrates, and show that LES not only captures correct electrostatics but also improves accuracy. Additionally, we scale LES to large and chemically diverse data by training MACELES-OFF on the SPICE set containing molecules and clusters, making a universal MLIP with electrostatics for organic systems, including biomolecules. MACELES-OFF is more accurate than its short-range counterpart (MACE-OFF) trained on the same data set, predicts dipoles and BECs reliably, and has better descriptions of bulk liquids. By enabling efficient long-range electrostatics without directly training on electrical properties, LES paves the way for electrostatic foundation MLIPs."}],"date_updated":"2026-08-07T09:35:25Z","type":"journal_article","status":"public","doi":"10.1021/acs.jctc.5c01400","date_published":"2025-12-10T00:00:00Z","_id":"20926","issue":"24","volume":21,"das_tickbox":"1","intvolume":" 21","arxiv":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2507.14302"}],"researchdata_availability":"no","citation":{"chicago":"Kim, Dongjin, Xiaoyu Wang, Santiago Vargas, Peichen Zhong, Daniel S. King, Theo Jaffrelot Inizan, and Bingqing Cheng. “A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials.” Journal of Chemical Theory and Computation. American Chemical Society, 2025. https://doi.org/10.1021/acs.jctc.5c01400.","mla":"Kim, Dongjin, et al. “A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials.” Journal of Chemical Theory and Computation, vol. 21, no. 24, American Chemical Society, 2025, pp. 12709–24, doi:10.1021/acs.jctc.5c01400.","ama":"Kim D, Wang X, Vargas S, et al. A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials. Journal of Chemical Theory and Computation. 2025;21(24):12709-12724. doi:10.1021/acs.jctc.5c01400","ista":"Kim D, Wang X, Vargas S, Zhong P, King DS, Inizan TJ, Cheng B. 2025. A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials. Journal of Chemical Theory and Computation. 21(24), 12709–12724.","ieee":"D. Kim et al., “A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials,” Journal of Chemical Theory and Computation, vol. 21, no. 24. American Chemical Society, pp. 12709–12724, 2025.","apa":"Kim, D., Wang, X., Vargas, S., Zhong, P., King, D. S., Inizan, T. J., & Cheng, B. (2025). A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials. Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.5c01400","short":"D. Kim, X. Wang, S. Vargas, P. Zhong, D.S. King, T.J. Inizan, B. Cheng, Journal of Chemical Theory and Computation 21 (2025) 12709–12724."},"year":"2025","scopus_import":"1","acknowledgement":"Research reported in this publication was supported by the National Institute Of General Medical Sciences of the National Institutes of Health under Award Number R35GM159986. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. D.K. and B.C. acknowledge funding from Toyota Research Institute Synthesis Advanced Research Challenge. T.J.I., D.S.K. and P.Z. acknowledge funding from BIDMaP Postdoctoral Fellowship. T.J.I. used resources of the National Energy Research Scientific Computing Center (NERSC), a Department of Energy Office of Science User Facility using NERSC award DOEERCAP0031751 ′GenAI@NERSC’. The authors thank Bowen Deng for valuable discussions on MatGL implementation, and thank Gabor Csanyi for stimulating discussions.","publisher":"American Chemical Society","department":[{"_id":"GradSch"},{"_id":"BiCh"}],"day":"10","pmid":1,"article_type":"original","publication_status":"published","language":[{"iso":"eng"}],"publication":"Journal of Chemical Theory and Computation","dataavailabilitystatement":"The training sets, training scripts, and trained potentials are available at https://github.com/ChengUCB/les_fit. The LES library is publicly available at https://github.com/ChengUCB/les. The CACE package with the LES implementation is available at https://github.com/BingqingCheng/cace. The MACE package with the LES implementation is available at https://github.com/ACEsuit/mace. The NequIP and Allegro LES extension package is available at https://github.com/ChengUCB/NequIP-LES. The MatGL package with the LES implementation is available at https://github.com/ChengUCB/matgl. The UMA package with the LES implementation is available at https://github.com/santi921/fairchem/tree/les_branch.","quality_controlled":"1","fulldoi":"https://doi.org/10.1021/acs.jctc.5c01400","supplementarymaterial":"no","month":"12","oa_version":"Preprint","article_processing_charge":"No","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","date_created":"2026-01-04T23:01:33Z","page":"12709-12724","corr_author":"1","author":[{"full_name":"Kim, Dongjin","first_name":"Dongjin","last_name":"Kim"},{"id":"8dff9c62-32b0-11ee-9fa8-fc73025e10f3","last_name":"Wang","full_name":"Wang, Xiaoyu","first_name":"Xiaoyu"},{"full_name":"Vargas, Santiago","first_name":"Santiago","last_name":"Vargas"},{"last_name":"Zhong","full_name":"Zhong, Peichen","first_name":"Peichen"},{"first_name":"Daniel S.","full_name":"King, Daniel S.","last_name":"King"},{"last_name":"Inizan","first_name":"Theo Jaffrelot","full_name":"Inizan, Theo Jaffrelot"},{"first_name":"Bingqing","full_name":"Cheng, Bingqing","last_name":"Cheng","orcid":"0000-0002-3584-9632","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9"}]},{"file":[{"creator":"dernst","file_size":2686255,"relation":"main_file","content_type":"application/pdf","date_created":"2026-01-20T07:22:04Z","access_level":"open_access","date_updated":"2026-01-20T07:22:04Z","file_name":"2025_npj_Zhong.pdf","file_id":"21005","checksum":"cc999804ba3bfed809ae46c73869e4e3","success":1}],"das_tickbox":"1","intvolume":" 11","PlanS_conform":"1","researchdata_availability":"yes","citation":{"short":"P. Zhong, D. Kim, D.S. King, B. Cheng, Npj Computational Materials 11 (2025).","ieee":"P. Zhong, D. Kim, D. S. King, and B. Cheng, “Machine learning interatomic potential can infer electrical response,” npj Computational Materials, vol. 11. Springer Nature, 2025.","ista":"Zhong P, Kim D, King DS, Cheng B. 2025. Machine learning interatomic potential can infer electrical response. npj Computational Materials. 11, 384.","apa":"Zhong, P., Kim, D., King, D. S., & Cheng, B. (2025). Machine learning interatomic potential can infer electrical response. Npj Computational Materials. Springer Nature. https://doi.org/10.1038/s41524-025-01911-z","ama":"Zhong P, Kim D, King DS, Cheng B. Machine learning interatomic potential can infer electrical response. npj Computational Materials. 2025;11. doi:10.1038/s41524-025-01911-z","mla":"Zhong, Peichen, et al. “Machine Learning Interatomic Potential Can Infer Electrical Response.” Npj Computational Materials, vol. 11, 384, Springer Nature, 2025, doi:10.1038/s41524-025-01911-z.","chicago":"Zhong, Peichen, Dongjin Kim, Daniel S. King, and Bingqing Cheng. “Machine Learning Interatomic Potential Can Infer Electrical Response.” Npj Computational Materials. Springer Nature, 2025. https://doi.org/10.1038/s41524-025-01911-z."},"year":"2025","OA_place":"publisher","OA_type":"gold","oa":1,"publication_identifier":{"eissn":["2057-3960"]},"file_date_updated":"2026-01-20T07:22:04Z","title":"Machine learning interatomic potential can infer electrical response","abstract":[{"lang":"eng","text":"Modeling the response of material and chemical systems to electric fields remains a longstanding challenge. Machine learning interatomic potentials (MLIPs) offer an efficient and scalable alternative to quantum mechanical methods, but do not by themselves incorporate electrical response. Here, we show that polarization and Born effective charge (BEC) tensors can be directly extracted from long-range MLIPs within the Latent Ewald Summation (LES) framework, solely by learning from energy and force data. Using this approach, we predict the infrared spectra of bulk water under zero or finite external electric fields, ionic conductivities of high-pressure superionic ice, and the phase transition and hysteresis in ferroelectric PbTiO3 perovskite. This work thus extends the capability of MLIPs to predict electrical response –without training on charges or polarization or BECs– and enables accurate modeling of electric-field-driven processes in diverse systems at scale."}],"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"doi":"10.1038/s41524-025-01911-z","date_published":"2025-12-29T00:00:00Z","_id":"20990","date_updated":"2026-08-07T09:38:09Z","status":"public","type":"journal_article","volume":11,"article_number":"384","oa_version":"Published Version","article_processing_charge":"Yes","quality_controlled":"1","fulldoi":"https://doi.org/10.1038/s41524-025-01911-z","month":"12","supplementarymaterial":"no","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","corr_author":"1","date_created":"2026-01-15T12:17:07Z","author":[{"first_name":"Peichen","full_name":"Zhong, Peichen","last_name":"Zhong"},{"last_name":"Kim","full_name":"Kim, Dongjin","first_name":"Dongjin"},{"last_name":"King","first_name":"Daniel S.","full_name":"King, Daniel S."},{"orcid":"0000-0002-3584-9632","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","last_name":"Cheng","first_name":"Bingqing","full_name":"Cheng, Bingqing"}],"has_accepted_license":"1","acknowledgement":"The authors thank for valuable discussions with Pinchen Xie, David Limmer, Jeff Neaton, and Greg Voth. The authors thank Sebastien Hamel for providing the DFT MD trajectories for superionic water, and help clarifying questions related to the pseudopotentials. The authors thank Federico Grasselli and Stefano Baroni for providing data and notebooks for computing the conductivity of a molten salt. This research used the Savio computational cluster resource provided by the Berkeley Research Computing program at the University of California, Berkeley (supported by the UC Berkeley Chancellor, Vice Chancellor for Research, and Chief Information Officer). D.S.K. and P.Z. acknowledge funding from the BIDMaP Postdoctoral Fellowship.","scopus_import":"1","publisher":"Springer Nature","day":"29","department":[{"_id":"BiCh"}],"article_type":"original","publication_status":"published","ddc":["540"],"language":[{"iso":"eng"}],"publication":"npj Computational Materials","dataavailabilitystatement":"The training sets, training scripts, BEC inference scripts, and trained CACE potentials are available at https://github.com/BingqingCheng/LES-BEC."}]