[{"publication":"Chemical Science","title":"Physics-inspired machine learning of localized intensive properties","article_type":"original","publisher":"Royal Society of Chemistry","day":"10","_id":"12879","ddc":["000","540"],"year":"2023","date_published":"2023-04-10T00:00:00Z","oa":1,"tmp":{"short":"CC BY (3.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/3.0/legalcode","name":"Creative Commons Attribution 3.0 Unported (CC BY 3.0)"},"quality_controlled":"1","date_created":"2023-04-30T22:01:06Z","abstract":[{"lang":"eng","text":"Machine learning (ML) has been widely applied to chemical property prediction, most prominently for the energies and forces in molecules and materials. The strong interest in predicting energies in particular has led to a ‘local energy’-based paradigm for modern atomistic ML models, which ensures size-extensivity and a linear scaling of computational cost with system size. However, many electronic properties (such as excitation energies or ionization energies) do not necessarily scale linearly with system size and may even be spatially localized. Using size-extensive models in these cases can lead to large errors. In this work, we explore different strategies for learning intensive and localized properties, using HOMO energies in organic molecules as a representative test case. In particular, we analyze the pooling functions that atomistic neural networks use to predict molecular properties, and suggest an orbital weighted average (OWA) approach that enables the accurate prediction of orbital energies and locations."}],"publication_identifier":{"issn":["2041-6520"],"eissn":["2041-6539"]},"acknowledgement":"KC acknowledges funding from the China Scholarship Council. KC is grateful for the TUM graduate school finance support to visit Bingqing Cheng's group in IST for two months. We also thankfully acknowledge computational resources provided by the MPCDF Supercomputing Centre.","file":[{"success":1,"access_level":"open_access","date_created":"2023-05-02T07:17:05Z","file_id":"12883","content_type":"application/pdf","creator":"dernst","file_name":"2023_ChemialScience_Chen.pdf","date_updated":"2023-05-02T07:17:05Z","file_size":1515446,"relation":"main_file","checksum":"5eeec69a51e192dcd94b955d84423836"}],"external_id":{"isi":["000971508100001"]},"month":"04","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","license":"https://creativecommons.org/licenses/by/3.0/","file_date_updated":"2023-05-02T07:17:05Z","scopus_import":"1","language":[{"iso":"eng"}],"citation":{"chicago":"Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter, and Johannes T. Margraf. “Physics-Inspired Machine Learning of Localized Intensive Properties.” <i>Chemical Science</i>. Royal Society of Chemistry, 2023. <a href=\"https://doi.org/10.1039/d3sc00841j\">https://doi.org/10.1039/d3sc00841j</a>.","apa":"Chen, K., Kunkel, C., Cheng, B., Reuter, K., &#38; Margraf, J. T. (2023). Physics-inspired machine learning of localized intensive properties. <i>Chemical Science</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d3sc00841j\">https://doi.org/10.1039/d3sc00841j</a>","ama":"Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning of localized intensive properties. <i>Chemical Science</i>. 2023. doi:<a href=\"https://doi.org/10.1039/d3sc00841j\">10.1039/d3sc00841j</a>","mla":"Chen, Ke, et al. “Physics-Inspired Machine Learning of Localized Intensive Properties.” <i>Chemical Science</i>, Royal Society of Chemistry, 2023, doi:<a href=\"https://doi.org/10.1039/d3sc00841j\">10.1039/d3sc00841j</a>.","ieee":"K. Chen, C. Kunkel, B. Cheng, K. Reuter, and J. T. Margraf, “Physics-inspired machine learning of localized intensive properties,” <i>Chemical Science</i>. Royal Society of Chemistry, 2023.","ista":"Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. 2023. Physics-inspired machine learning of localized intensive properties. Chemical Science.","short":"K. Chen, C. Kunkel, B. Cheng, K. Reuter, J.T. Margraf, Chemical Science (2023)."},"has_accepted_license":"1","department":[{"_id":"BiCh"}],"date_updated":"2023-08-01T14:18:10Z","article_processing_charge":"No","author":[{"full_name":"Chen, Ke","last_name":"Chen","id":"c636c5ca-e8b8-11ed-b2d4-cc2c37613a8d","first_name":"Ke"},{"last_name":"Kunkel","full_name":"Kunkel, Christian","first_name":"Christian"},{"first_name":"Bingqing","orcid":"0000-0002-3584-9632","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","last_name":"Cheng","full_name":"Cheng, Bingqing"},{"first_name":"Karsten","full_name":"Reuter, Karsten","last_name":"Reuter"},{"first_name":"Johannes T.","full_name":"Margraf, Johannes T.","last_name":"Margraf"}],"type":"journal_article","oa_version":"Published Version","publication_status":"published","doi":"10.1039/d3sc00841j","status":"public","isi":1},{"pmid":1,"ddc":["570"],"publisher":"Taylor & Francis","day":"18","_id":"12880","title":"Lamin B1 overexpression alters chromatin organization and gene expression","article_type":"original","volume":14,"publication":"Nucleus","quality_controlled":"1","intvolume":"        14","abstract":[{"lang":"eng","text":"Peripheral heterochromatin positioning depends on nuclear envelope associated proteins and repressive histone modifications. Here we show that overexpression (OE) of Lamin B1 (LmnB1) leads to the redistribution of peripheral heterochromatin into heterochromatic foci within the nucleoplasm. These changes represent a perturbation of heterochromatin binding at the nuclear periphery (NP) through a mechanism independent from altering other heterochromatin anchors or histone post-translational modifications. We further show that LmnB1 OE alters gene expression. These changes do not correlate with different levels of H3K9me3, but a significant number of the misregulated genes were likely mislocalized away from the NP upon LmnB1 OE. We also observed an enrichment of developmental processes amongst the upregulated genes. ~74% of these genes were normally repressed in our cell type, suggesting that LmnB1 OE promotes gene de-repression. This demonstrates a broader consequence of LmnB1 OE on cell fate, and highlights the importance of maintaining proper levels of LmnB1."}],"date_created":"2023-04-30T22:01:06Z","oa":1,"tmp":{"short":"CC BY-NC (4.0)","name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode","image":"/images/cc_by_nc.png"},"year":"2023","issue":"1","date_published":"2023-04-18T00:00:00Z","language":[{"iso":"eng"}],"citation":{"apa":"Kaneshiro, J. M., Capitanio, J. S., &#38; Hetzer, M. (2023). Lamin B1 overexpression alters chromatin organization and gene expression. <i>Nucleus</i>. Taylor &#38; Francis. <a href=\"https://doi.org/10.1080/19491034.2023.2202548\">https://doi.org/10.1080/19491034.2023.2202548</a>","chicago":"Kaneshiro, Jeanae M., Juliana S. Capitanio, and Martin Hetzer. “Lamin B1 Overexpression Alters Chromatin Organization and Gene Expression.” <i>Nucleus</i>. Taylor &#38; Francis, 2023. <a href=\"https://doi.org/10.1080/19491034.2023.2202548\">https://doi.org/10.1080/19491034.2023.2202548</a>.","ama":"Kaneshiro JM, Capitanio JS, Hetzer M. Lamin B1 overexpression alters chromatin organization and gene expression. <i>Nucleus</i>. 2023;14(1). doi:<a href=\"https://doi.org/10.1080/19491034.2023.2202548\">10.1080/19491034.2023.2202548</a>","short":"J.M. Kaneshiro, J.S. Capitanio, M. Hetzer, Nucleus 14 (2023).","ieee":"J. M. Kaneshiro, J. S. Capitanio, and M. Hetzer, “Lamin B1 overexpression alters chromatin organization and gene expression,” <i>Nucleus</i>, vol. 14, no. 1. Taylor &#38; Francis, 2023.","ista":"Kaneshiro JM, Capitanio JS, Hetzer M. 2023. Lamin B1 overexpression alters chromatin organization and gene expression. Nucleus. 14(1), 2202548.","mla":"Kaneshiro, Jeanae M., et al. “Lamin B1 Overexpression Alters Chromatin Organization and Gene Expression.” <i>Nucleus</i>, vol. 14, no. 1, 2202548, Taylor &#38; Francis, 2023, doi:<a href=\"https://doi.org/10.1080/19491034.2023.2202548\">10.1080/19491034.2023.2202548</a>."},"has_accepted_license":"1","article_number":"2202548","corr_author":"1","file_date_updated":"2023-05-02T07:24:55Z","scopus_import":"1","month":"04","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","publication_identifier":{"issn":["1949-1034"],"eissn":["1949-1042"]},"file":[{"checksum":"8e707eda84f64dbad7f03545ae0a83ef","relation":"main_file","file_size":3811113,"file_name":"2023_Nucleus_Kaneshiro.pdf","date_updated":"2023-05-02T07:24:55Z","content_type":"application/pdf","creator":"dernst","file_id":"12884","date_created":"2023-05-02T07:24:55Z","success":1,"access_level":"open_access"}],"acknowledgement":"We thank members of the Hetzer lab for critical review of the manuscript; Novogene for mRNA library preparation and sequencing; the Next-Generation Sequencing Core Facility at the Salk Institute, with funding from NIH-NCI CCSG: P30 014195, the Chapman Foundation, and the Helmsley Charitable Trust, for sequencing Cut&Run libraries; and the Waitt Advanced Biophotonics Core Facility at the Salk Institute, with funding from NIH-NCI CCSG: P30 014195, the Waitt Foundation, and the Chan-Zuckerberg Initiative Imaging Scientist Award, for electron microscopy sample preparation and imaging.","external_id":{"isi":["000971629400001"],"pmid":["37071033"]},"status":"public","isi":1,"type":"journal_article","oa_version":"Published Version","publication_status":"published","doi":"10.1080/19491034.2023.2202548","author":[{"last_name":"Kaneshiro","full_name":"Kaneshiro, Jeanae M.","first_name":"Jeanae M."},{"last_name":"Capitanio","full_name":"Capitanio, Juliana S.","first_name":"Juliana S."},{"first_name":"Martin W","id":"86c0d31b-b4eb-11ec-ac5a-eae7b2e135ed","orcid":"0000-0002-2111-992X","full_name":"Hetzer, Martin W","last_name":"Hetzer"}],"article_processing_charge":"No","department":[{"_id":"MaHe"}],"date_updated":"2024-10-09T21:05:01Z"},{"quality_controlled":"1","abstract":[{"lang":"eng","text":"We introduce a stochastic cellular automaton as a model for culture and border formation. The model can be conceptualized as a game where the expansion rate of cultures is quantified in terms of their area and perimeter in such a way that approximately geometrically round cultures get a competitive advantage. We first analyze the model with periodic boundary conditions, where we study how the model can end up in a fixed state, i.e., freezes. Then we implement the model on the European geography with mountains and rivers. We see how the model reproduces some qualitative features of European culture formation, namely, that rivers and mountains are more frequently borders between cultures, mountainous regions tend to have higher cultural diversity, and the central European plain has less clear cultural borders."}],"intvolume":"       108","date_created":"2023-05-04T08:35:01Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2305.02153"}],"oa":1,"year":"2023","issue":"5","date_published":"2023-11-08T00:00:00Z","pmid":1,"publisher":"American Physical Society","arxiv":1,"day":"08","_id":"12890","title":"Stochastic cellular automaton model of culture formation","article_type":"original","volume":108,"publication":"Physical Review E","status":"public","isi":1,"type":"journal_article","oa_version":"Preprint","publication_status":"published","doi":"10.1103/PhysRevE.108.054307","article_processing_charge":"No","author":[{"first_name":"Frederik Ravn","last_name":"Klausen","full_name":"Klausen, Frederik Ravn"},{"full_name":"Lauritsen, Asbjørn Bækgaard","last_name":"Lauritsen","first_name":"Asbjørn Bækgaard","id":"e1a2682f-dc8d-11ea-abe3-81da9ac728f1","orcid":"0000-0003-4476-2288"}],"department":[{"_id":"GradSch"},{"_id":"RoSe"}],"date_updated":"2025-09-09T12:26:01Z","language":[{"iso":"eng"}],"citation":{"chicago":"Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular Automaton Model of Culture Formation.” <i>Physical Review E</i>. American Physical Society, 2023. <a href=\"https://doi.org/10.1103/PhysRevE.108.054307\">https://doi.org/10.1103/PhysRevE.108.054307</a>.","apa":"Klausen, F. R., &#38; Lauritsen, A. B. (2023). Stochastic cellular automaton model of culture formation. <i>Physical Review E</i>. American Physical Society. <a href=\"https://doi.org/10.1103/PhysRevE.108.054307\">https://doi.org/10.1103/PhysRevE.108.054307</a>","ama":"Klausen FR, Lauritsen AB. Stochastic cellular automaton model of culture formation. <i>Physical Review E</i>. 2023;108(5). doi:<a href=\"https://doi.org/10.1103/PhysRevE.108.054307\">10.1103/PhysRevE.108.054307</a>","mla":"Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular Automaton Model of Culture Formation.” <i>Physical Review E</i>, vol. 108, no. 5, 054307, American Physical Society, 2023, doi:<a href=\"https://doi.org/10.1103/PhysRevE.108.054307\">10.1103/PhysRevE.108.054307</a>.","ista":"Klausen FR, Lauritsen AB. 2023. Stochastic cellular automaton model of culture formation. Physical Review E. 108(5), 054307.","ieee":"F. R. Klausen and A. B. Lauritsen, “Stochastic cellular automaton model of culture formation,” <i>Physical Review E</i>, vol. 108, no. 5. American Physical Society, 2023.","short":"F.R. Klausen, A.B. Lauritsen, Physical Review E 108 (2023)."},"article_number":"054307","corr_author":"1","scopus_import":"1","month":"11","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","publication_identifier":{"issn":["2470-0045"],"eissn":["2470-0053"]},"acknowledgement":"Thanks to Kim Sneppen, Svend Krøjer, Peter Wildemann, Peter Rasmussen and Kent Bækgaard Lauritsen for discussions and suggestions. FRK acknowledges support from the Villum Foundation for support through the QMATH center of Excellence (Grant No. 10059) and the Villum Young Investigator (Grant No. 25452) programs.","related_material":{"link":[{"relation":"software","url":"https://github.com/FrederikRavnKlausen/model-for-culture-formation"}],"record":[{"id":"12869","relation":"research_data","status":"public"}]},"external_id":{"arxiv":["2305.02153"],"isi":["001106396300005"],"pmid":["38115445"]}},{"publication":"Journal of Functional Analysis","article_type":"original","title":"A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature","ec_funded":1,"volume":285,"day":"15","arxiv":1,"publisher":"Elsevier","_id":"12911","issue":"4","year":"2023","date_published":"2023-08-15T00:00:00Z","oa":1,"quality_controlled":"1","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2106.11217"}],"intvolume":"       285","abstract":[{"text":"This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite-dimensional composite quantum system at positive temperature as a non-commutative entropy regularized Optimal Transport problem. We develop a new approach to fully characterize the dual-primal solutions in such non-commutative setting. The mathematical formalism is particularly relevant in quantum chemistry: numerical realizations of the many-electron ground-state energy can be computed via a non-commutative version of Sinkhorn algorithm. Our approach allows to prove convergence and robustness of this algorithm, which, to our best knowledge, were unknown even in the two marginal case. Our methods are based on a priori estimates in the dual problem, which we believe to be of independent interest. Finally, the above results are extended in 1RDMFT setting, where bosonic or fermionic symmetry conditions are enforced on the problem.","lang":"eng"}],"date_created":"2023-05-07T22:01:02Z","publication_identifier":{"eissn":["1096-0783"],"issn":["0022-1236"]},"external_id":{"arxiv":["2106.11217"],"isi":["000990804300001"]},"acknowledgement":"This work started when A.G. was visiting the Erwin Schrödinger Institute and then continued when D.F. and L.P visited the Theoretical Chemistry Department of the Vrije Universiteit Amsterdam. The authors thank the hospitality of both places and, especially, P. Gori-Giorgi and K. Giesbertz for fruitful discussions and literature suggestions in the early state of the project. The authors also thank J. Maas and R. Seiringer for their feedback and useful comments to a first draft of the article. Finally, we acknowledge the high quality review done by the anonymous referee of our paper, who we would like to thank for the excellent work and constructive feedback.\r\nD.F acknowledges support by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreements No 716117 and No 694227). A.G. acknowledges funding by the HORIZON EUROPE European Research Council under H2020/MSCA-IF “OTmeetsDFT” [grant ID: 795942] as well as partial support of his research by the Canada Research Chairs Program (ID 2021-00234) and Natural Sciences and Engineering Research Council of Canada, RGPIN-2022-05207. L.P. acknowledges support by the Austrian Science Fund (FWF), grants No W1245 and No F65, and by the Deutsche Forschungsgemeinschaft (DFG) - Project number 390685813.","related_material":{"record":[{"relation":"earlier_version","status":"public","id":"9792"}]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"08","project":[{"name":"Optimal Transport and Stochastic Dynamics","_id":"256E75B8-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"716117"},{"grant_number":"694227","_id":"25C6DC12-B435-11E9-9278-68D0E5697425","name":"Analysis of quantum many-body systems","call_identifier":"H2020"},{"grant_number":"F06504","name":"Taming Complexity in Partial Differential Systems","_id":"260482E2-B435-11E9-9278-68D0E5697425","call_identifier":"FWF"}],"scopus_import":"1","language":[{"iso":"eng"}],"article_number":"109963","citation":{"mla":"Feliciangeli, Dario, et al. “A Non-Commutative Entropic Optimal Transport Approach to Quantum Composite Systems at Positive Temperature.” <i>Journal of Functional Analysis</i>, vol. 285, no. 4, 109963, Elsevier, 2023, doi:<a href=\"https://doi.org/10.1016/j.jfa.2023.109963\">10.1016/j.jfa.2023.109963</a>.","short":"D. Feliciangeli, A. Gerolin, L. Portinale, Journal of Functional Analysis 285 (2023).","ieee":"D. Feliciangeli, A. Gerolin, and L. Portinale, “A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature,” <i>Journal of Functional Analysis</i>, vol. 285, no. 4. Elsevier, 2023.","ista":"Feliciangeli D, Gerolin A, Portinale L. 2023. A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature. Journal of Functional Analysis. 285(4), 109963.","ama":"Feliciangeli D, Gerolin A, Portinale L. A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature. <i>Journal of Functional Analysis</i>. 2023;285(4). doi:<a href=\"https://doi.org/10.1016/j.jfa.2023.109963\">10.1016/j.jfa.2023.109963</a>","chicago":"Feliciangeli, Dario, Augusto Gerolin, and Lorenzo Portinale. “A Non-Commutative Entropic Optimal Transport Approach to Quantum Composite Systems at Positive Temperature.” <i>Journal of Functional Analysis</i>. Elsevier, 2023. <a href=\"https://doi.org/10.1016/j.jfa.2023.109963\">https://doi.org/10.1016/j.jfa.2023.109963</a>.","apa":"Feliciangeli, D., Gerolin, A., &#38; Portinale, L. (2023). A non-commutative entropic optimal transport approach to quantum composite systems at positive temperature. <i>Journal of Functional Analysis</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.jfa.2023.109963\">https://doi.org/10.1016/j.jfa.2023.109963</a>"},"department":[{"_id":"RoSe"},{"_id":"JaMa"}],"date_updated":"2025-04-15T08:31:52Z","article_processing_charge":"No","author":[{"first_name":"Dario","orcid":"0000-0003-0754-8530","id":"41A639AA-F248-11E8-B48F-1D18A9856A87","full_name":"Feliciangeli, Dario","last_name":"Feliciangeli"},{"first_name":"Augusto","full_name":"Gerolin, Augusto","last_name":"Gerolin"},{"last_name":"Portinale","full_name":"Portinale, Lorenzo","id":"30AD2CBC-F248-11E8-B48F-1D18A9856A87","first_name":"Lorenzo"}],"oa_version":"Preprint","type":"journal_article","doi":"10.1016/j.jfa.2023.109963","publication_status":"published","status":"public","isi":1},{"date_published":"2023-04-24T00:00:00Z","issue":"16","year":"2023","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"oa":1,"intvolume":"       158","date_created":"2023-05-07T22:01:03Z","abstract":[{"lang":"eng","text":"The chemical potential of adsorbed or confined fluids provides insight into their unique thermodynamic properties and determines adsorption isotherms. However, it is often difficult to compute this quantity from atomistic simulations using existing statistical mechanical methods. We introduce a computational framework that utilizes static structure factors, thermodynamic integration, and free energy perturbation for calculating the absolute chemical potential of fluids. For demonstration, we apply the method to compute the adsorption isotherms of carbon dioxide in a metal-organic framework and water in carbon nanotubes."}],"quality_controlled":"1","publication":"The Journal of Chemical Physics","volume":158,"title":"Computing chemical potentials of adsorbed or confined fluids","article_type":"original","_id":"12912","day":"24","publisher":"AIP Publishing","arxiv":1,"ddc":["540"],"pmid":1,"date_updated":"2024-10-09T21:05:04Z","department":[{"_id":"BiCh"}],"article_processing_charge":"No","author":[{"first_name":"Rochus","last_name":"Schmid","full_name":"Schmid, Rochus"},{"last_name":"Cheng","full_name":"Cheng, Bingqing","first_name":"Bingqing","orcid":"0000-0002-3584-9632","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9"}],"doi":"10.1063/5.0146711","publication_status":"published","oa_version":"Published Version","type":"journal_article","isi":1,"status":"public","external_id":{"isi":["001010676000010"],"pmid":["37093149"],"arxiv":["2302.01297"]},"file":[{"file_size":6499468,"checksum":"4ab8c965f2fa4e17920bfa846847f137","relation":"main_file","file_name":"2023_JourChemicalPhysics_Schmid.pdf","date_updated":"2023-05-08T07:44:49Z","content_type":"application/pdf","creator":"dernst","date_created":"2023-05-08T07:44:49Z","access_level":"open_access","success":1,"file_id":"12918"}],"acknowledgement":"We thank Aleks Reinhardt and Daan Frenkel for their insightful comments and suggestions on the article. B.C. acknowledges the resources provided by the Cambridge Tier-2 system operated by the University of Cambridge Research Computing Service funded by EPSRC Tier-2 capital Grant No. EP/P020259/1.","related_material":{"link":[{"url":"https://github.com/BingqingCheng/mu-adsorption","relation":"software"},{"url":"https://github.com/BingqingCheng/S0","relation":"software"}]},"publication_identifier":{"eissn":["1089-7690"]},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","month":"04","scopus_import":"1","file_date_updated":"2023-05-08T07:44:49Z","corr_author":"1","article_number":"161101 ","has_accepted_license":"1","citation":{"ama":"Schmid R, Cheng B. Computing chemical potentials of adsorbed or confined fluids. <i>The Journal of Chemical Physics</i>. 2023;158(16). doi:<a href=\"https://doi.org/10.1063/5.0146711\">10.1063/5.0146711</a>","chicago":"Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed or Confined Fluids.” <i>The Journal of Chemical Physics</i>. AIP Publishing, 2023. <a href=\"https://doi.org/10.1063/5.0146711\">https://doi.org/10.1063/5.0146711</a>.","apa":"Schmid, R., &#38; Cheng, B. (2023). Computing chemical potentials of adsorbed or confined fluids. <i>The Journal of Chemical Physics</i>. AIP Publishing. <a href=\"https://doi.org/10.1063/5.0146711\">https://doi.org/10.1063/5.0146711</a>","mla":"Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed or Confined Fluids.” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16, 161101, AIP Publishing, 2023, doi:<a href=\"https://doi.org/10.1063/5.0146711\">10.1063/5.0146711</a>.","ista":"Schmid R, Cheng B. 2023. Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. 158(16), 161101.","ieee":"R. Schmid and B. Cheng, “Computing chemical potentials of adsorbed or confined fluids,” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16. AIP Publishing, 2023.","short":"R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023)."},"language":[{"iso":"eng"}]},{"_id":"12913","day":"26","publisher":"Springer Nature","ddc":["530"],"pmid":1,"publication":"Nature Communications","volume":14,"article_type":"original","title":"Symmetry-broken Josephson junctions and superconducting diodes in magic-angle twisted bilayer graphene","abstract":[{"text":"The coexistence of gate-tunable superconducting, magnetic and topological orders in magic-angle twisted bilayer graphene provides opportunities for the creation of hybrid Josephson junctions. Here we report the fabrication of gate-defined symmetry-broken Josephson junctions in magic-angle twisted bilayer graphene, where the weak link is gate-tuned close to the correlated insulator state with a moiré filling factor of υ = −2. We observe a phase-shifted and asymmetric Fraunhofer pattern with a pronounced magnetic hysteresis. Our theoretical calculations of the junction weak link—with valley polarization and orbital magnetization—explain most of these unconventional features. The effects persist up to the critical temperature of 3.5 K, with magnetic hysteresis observed below 800 mK. We show how the combination of magnetization and its current-induced magnetization switching allows us to realise a programmable zero-field superconducting diode. Our results represent a major advance towards the creation of future superconducting quantum electronic devices.","lang":"eng"}],"intvolume":"        14","date_created":"2023-05-07T22:01:03Z","quality_controlled":"1","date_published":"2023-04-26T00:00:00Z","year":"2023","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"oa":1,"scopus_import":"1","file_date_updated":"2023-05-08T07:26:40Z","has_accepted_license":"1","article_number":"2396","citation":{"chicago":"Díez-Mérida, J., A. Díez-Carlón, S. Y. Yang, Y. M. Xie, X. J. Gao, Jorden L Senior, K. Watanabe, et al. “Symmetry-Broken Josephson Junctions and Superconducting Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>. Springer Nature, 2023. <a href=\"https://doi.org/10.1038/s41467-023-38005-7\">https://doi.org/10.1038/s41467-023-38005-7</a>.","apa":"Díez-Mérida, J., Díez-Carlón, A., Yang, S. Y., Xie, Y. M., Gao, X. J., Senior, J. L., … Efetov, D. K. (2023). Symmetry-broken Josephson junctions and superconducting diodes in magic-angle twisted bilayer graphene. <i>Nature Communications</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41467-023-38005-7\">https://doi.org/10.1038/s41467-023-38005-7</a>","ama":"Díez-Mérida J, Díez-Carlón A, Yang SY, et al. Symmetry-broken Josephson junctions and superconducting diodes in magic-angle twisted bilayer graphene. <i>Nature Communications</i>. 2023;14. doi:<a href=\"https://doi.org/10.1038/s41467-023-38005-7\">10.1038/s41467-023-38005-7</a>","mla":"Díez-Mérida, J., et al. “Symmetry-Broken Josephson Junctions and Superconducting Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>, vol. 14, 2396, Springer Nature, 2023, doi:<a href=\"https://doi.org/10.1038/s41467-023-38005-7\">10.1038/s41467-023-38005-7</a>.","ista":"Díez-Mérida J, Díez-Carlón A, Yang SY, Xie YM, Gao XJ, Senior JL, Watanabe K, Taniguchi T, Lu X, Higginbotham AP, Law KT, Efetov DK. 2023. Symmetry-broken Josephson junctions and superconducting diodes in magic-angle twisted bilayer graphene. Nature Communications. 14, 2396.","short":"J. Díez-Mérida, A. Díez-Carlón, S.Y. Yang, Y.M. Xie, X.J. Gao, J.L. Senior, K. Watanabe, T. Taniguchi, X. Lu, A.P. Higginbotham, K.T. Law, D.K. Efetov, Nature Communications 14 (2023).","ieee":"J. Díez-Mérida <i>et al.</i>, “Symmetry-broken Josephson junctions and superconducting diodes in magic-angle twisted bilayer graphene,” <i>Nature Communications</i>, vol. 14. Springer Nature, 2023."},"language":[{"iso":"eng"}],"external_id":{"pmid":["37100775"],"isi":["000979744000004"]},"acknowledgement":"We are grateful for the fruitful discussions with Allan MacDonald and Andrei Bernevig. D.K.E. acknowledges support from the Ministry of Economy and Competitiveness of Spain through the “Severo Ochoa” program for Centers of Excellence in R&D (SE5-0522), Fundació Privada Cellex, Fundació Privada Mir-Puig, the Generalitat de Catalunya through the CERCA program, funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 852927)” and the La Caixa Foundation. K.T.L. acknowledges the support of the Ministry of Science and Technology of China and the HKRGC through grants MOST20SC04, C6025-19G, 16310219, 16309718, and 16310520. J.D.M. acknowledges support from the INPhINIT ‘la Caixa’ Foundation (ID 100010434) fellowship program (LCF/BQ/DI19/11730021). Y.M.X. acknowledges the support of HKRGC through Grant No. PDFS2223-6S01.","file":[{"relation":"main_file","checksum":"a778105665c10beb2354c92d2b295115","file_size":1405588,"date_updated":"2023-05-08T07:26:40Z","file_name":"2023_NatureComm_DiezMerida.pdf","creator":"dernst","content_type":"application/pdf","file_id":"12917","access_level":"open_access","success":1,"date_created":"2023-05-08T07:26:40Z"}],"publication_identifier":{"eissn":["2041-1723"]},"month":"04","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","doi":"10.1038/s41467-023-38005-7","publication_status":"published","oa_version":"Published Version","type":"journal_article","isi":1,"status":"public","date_updated":"2023-08-01T14:34:00Z","department":[{"_id":"AnHi"}],"author":[{"first_name":"J.","full_name":"Díez-Mérida, J.","last_name":"Díez-Mérida"},{"first_name":"A.","full_name":"Díez-Carlón, A.","last_name":"Díez-Carlón"},{"full_name":"Yang, S. Y.","last_name":"Yang","first_name":"S. Y."},{"last_name":"Xie","full_name":"Xie, Y. M.","first_name":"Y. M."},{"full_name":"Gao, X. J.","last_name":"Gao","first_name":"X. J."},{"first_name":"Jorden L","id":"5479D234-2D30-11EA-89CC-40953DDC885E","last_name":"Senior","full_name":"Senior, Jorden L"},{"first_name":"K.","last_name":"Watanabe","full_name":"Watanabe, K."},{"first_name":"T.","full_name":"Taniguchi, T.","last_name":"Taniguchi"},{"first_name":"X.","full_name":"Lu, X.","last_name":"Lu"},{"first_name":"Andrew P","id":"4AD6785A-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-2607-2363","full_name":"Higginbotham, Andrew P","last_name":"Higginbotham"},{"first_name":"K. T.","last_name":"Law","full_name":"Law, K. T."},{"last_name":"Efetov","full_name":"Efetov, Dmitri K.","first_name":"Dmitri K."}],"article_processing_charge":"No"},{"year":"2023","issue":"4","date_published":"2023-04-20T00:00:00Z","oa":1,"quality_controlled":"1","abstract":[{"lang":"eng","text":"We numerically study two methods of measuring tunneling times using a quantum clock. In the conventional method using the Larmor clock, we show that the Larmor tunneling time can be shorter for higher tunneling barriers. In the second method, we study the probability of a spin-flip of a particle when it is transmitted through a potential barrier including a spatially rotating field interacting with its spin. According to the adiabatic theorem, the probability depends on the velocity of the particle inside the barrier. It is numerically observed that the probability increases for higher barriers, which is consistent with the result obtained by the Larmor clock. By comparing outcomes for different initial spin states, we suggest that one of the main causes of the apparent decrease in the tunneling time can be the filtering effect occurring at the end of the barrier."}],"intvolume":"       107","date_created":"2023-05-07T22:01:03Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2207.13130"}],"publication":"Physical Review A","ec_funded":1,"article_type":"original","title":"Numerical quantum clock simulations for measuring tunneling times","volume":107,"arxiv":1,"publisher":"American Physical Society","day":"20","_id":"12914","department":[{"_id":"MiLe"}],"date_updated":"2025-04-14T07:44:01Z","author":[{"full_name":"Suzuki, Fumika","last_name":"Suzuki","first_name":"Fumika","id":"650C99FC-1079-11EA-A3C0-73AE3DDC885E","orcid":"0000-0003-4982-5970"},{"last_name":"Unruh","full_name":"Unruh, William G.","first_name":"William G."}],"article_processing_charge":"No","type":"journal_article","oa_version":"Preprint","publication_status":"published","doi":"10.1103/PhysRevA.107.042216","status":"public","isi":1,"publication_identifier":{"issn":["2469-9926"],"eissn":["2469-9934"]},"acknowledgement":"We thank W. H. Zurek, N. Sinitsyn, M. O. Scully, M. Arndt, and C. H. Marrows for helpful discussions. F.S. acknowledges support from the Los Alamos National Laboratory LDRD program under Project No. 20230049DR and the Center for Nonlinear Studies. F.S. also thanks the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant No. 754411 for support. W.G.U. thanks the Natural Science and Engineering Research Council of Canada, the Hagler Institute of Texas A&M University, the Helmholz Inst HZDR, Germany for support while this work was being done.","external_id":{"isi":["000975799300006"],"arxiv":["2207.13130"]},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","month":"04","corr_author":"1","project":[{"name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411"}],"scopus_import":"1","language":[{"iso":"eng"}],"citation":{"mla":"Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations for Measuring Tunneling Times.” <i>Physical Review A</i>, vol. 107, no. 4, 042216, American Physical Society, 2023, doi:<a href=\"https://doi.org/10.1103/PhysRevA.107.042216\">10.1103/PhysRevA.107.042216</a>.","ieee":"F. Suzuki and W. G. Unruh, “Numerical quantum clock simulations for measuring tunneling times,” <i>Physical Review A</i>, vol. 107, no. 4. American Physical Society, 2023.","ista":"Suzuki F, Unruh WG. 2023. Numerical quantum clock simulations for measuring tunneling times. Physical Review A. 107(4), 042216.","short":"F. Suzuki, W.G. Unruh, Physical Review A 107 (2023).","ama":"Suzuki F, Unruh WG. Numerical quantum clock simulations for measuring tunneling times. <i>Physical Review A</i>. 2023;107(4). doi:<a href=\"https://doi.org/10.1103/PhysRevA.107.042216\">10.1103/PhysRevA.107.042216</a>","chicago":"Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations for Measuring Tunneling Times.” <i>Physical Review A</i>. American Physical Society, 2023. <a href=\"https://doi.org/10.1103/PhysRevA.107.042216\">https://doi.org/10.1103/PhysRevA.107.042216</a>.","apa":"Suzuki, F., &#38; Unruh, W. G. (2023). Numerical quantum clock simulations for measuring tunneling times. <i>Physical Review A</i>. American Physical Society. <a href=\"https://doi.org/10.1103/PhysRevA.107.042216\">https://doi.org/10.1103/PhysRevA.107.042216</a>"},"article_number":"042216"},{"author":[{"last_name":"Xing","full_name":"Xing, Congcong","first_name":"Congcong"},{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"full_name":"Xiao, Ke","last_name":"Xiao","first_name":"Ke"},{"last_name":"Han","full_name":"Han, Xu","first_name":"Xu"},{"orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu","last_name":"Liu"},{"first_name":"Bingfei","last_name":"Nan","full_name":"Nan, Bingfei"},{"id":"1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9","first_name":"Maria Garcia","last_name":"Ramon","full_name":"Ramon, Maria Garcia"},{"first_name":"Khak Ho","full_name":"Lim, Khak Ho","last_name":"Lim"},{"full_name":"Li, Junshan","last_name":"Li","first_name":"Junshan"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"first_name":"Bed","last_name":"Poudel","full_name":"Poudel, Bed"},{"first_name":"Amin","full_name":"Nozariasbmarz, Amin","last_name":"Nozariasbmarz"},{"full_name":"Li, Wenjie","last_name":"Li","first_name":"Wenjie"},{"first_name":"Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"article_processing_charge":"No","department":[{"_id":"MaIb"}],"date_updated":"2025-06-25T06:01:54Z","status":"public","isi":1,"type":"journal_article","oa_version":"Submitted Version","publication_status":"published","doi":"10.1021/acsnano.3c00495","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"05","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"page":"8442-8452","acknowledgement":"The authors acknowledge support from the projects ENE2016-77798-C4-3-R and NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/and by “ERDF A way of making Europe”, and by the “European Union”. K.X. and B.N. thank the China Scholarship Council (CSC) for scholarship support. The authors acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246. ICN2 is supported by the Severo Ochoa program from the Spanish MCIN/AEI (Grant No.: CEX2021-001214-S). IREC and ICN2 are funded by the CERCA Programme/Generalitat de Catalunya. J.L. acknowledges support from the Natural Science Foundation of Sichuan province (2022NSFSC1229). Part of the present work was performed in the frameworks of Universitat de Barcelona Nanoscience Ph.D. program and Universitat Autònoma de Barcelona Materials Science Ph.D. program. Y.L. acknowledges funding from the National Natural Science Foundation of China (Grant No. 22209034) and the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grants No. 2022LCX002). K.H.L. acknowledges the financial support of the National Natural Science Foundation of China (Grant No. 22208293).","external_id":{"pmid":["37071412"],"isi":["000976063200001"]},"OA_type":"green","language":[{"iso":"eng"}],"citation":{"ama":"Xing C, Zhang Y, Xiao K, et al. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. 2023;17(9):8442-8452. doi:<a href=\"https://doi.org/10.1021/acsnano.3c00495\">10.1021/acsnano.3c00495</a>","chicago":"Xing, Congcong, Yu Zhang, Ke Xiao, Xu Han, Yu Liu, Bingfei Nan, Maria Garcia Ramon, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsnano.3c00495\">https://doi.org/10.1021/acsnano.3c00495</a>.","apa":"Xing, C., Zhang, Y., Xiao, K., Han, X., Liu, Y., Nan, B., … Cabot, A. (2023). Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.3c00495\">https://doi.org/10.1021/acsnano.3c00495</a>","mla":"Xing, Congcong, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” <i>ACS Nano</i>, vol. 17, no. 9, American Chemical Society, 2023, pp. 8442–52, doi:<a href=\"https://doi.org/10.1021/acsnano.3c00495\">10.1021/acsnano.3c00495</a>.","short":"C. Xing, Y. Zhang, K. Xiao, X. Han, Y. Liu, B. Nan, M.G. Ramon, K.H. Lim, J. Li, J. Arbiol, B. Poudel, A. Nozariasbmarz, W. Li, M. Ibáñez, A. Cabot, ACS Nano 17 (2023) 8442–8452.","ista":"Xing C, Zhang Y, Xiao K, Han X, Liu Y, Nan B, Ramon MG, Lim KH, Li J, Arbiol J, Poudel B, Nozariasbmarz A, Li W, Ibáñez M, Cabot A. 2023. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 17(9), 8442–8452.","ieee":"C. Xing <i>et al.</i>, “Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites,” <i>ACS Nano</i>, vol. 17, no. 9. American Chemical Society, pp. 8442–8452, 2023."},"corr_author":"1","scopus_import":"1","oa":1,"year":"2023","issue":"9","date_published":"2023-05-09T00:00:00Z","quality_controlled":"1","date_created":"2023-05-07T22:01:04Z","abstract":[{"text":"Cu2–xS and Cu2–xSe have recently been reported as promising thermoelectric (TE) materials for medium-temperature applications. In contrast, Cu2–xTe, another member of the copper chalcogenide family, typically exhibits low Seebeck coefficients that limit its potential to achieve a superior thermoelectric figure of merit, zT, particularly in the low-temperature range where this material could be effective. To address this, we investigated the TE performance of Cu1.5–xTe–Cu2Se nanocomposites by consolidating surface-engineered Cu1.5Te nanocrystals. This surface engineering strategy allows for precise adjustment of Cu/Te ratios and results in a reversible phase transition at around 600 K in Cu1.5–xTe–Cu2Se nanocomposites, as systematically confirmed by in situ high-temperature X-ray diffraction combined with differential scanning calorimetry analysis. The phase transition leads to a conversion from metallic-like to semiconducting-like TE properties. Additionally, a layer of Cu2Se generated around Cu1.5–xTe nanoparticles effectively inhibits Cu1.5–xTe grain growth, minimizing thermal conductivity and decreasing hole concentration. These properties indicate that copper telluride based compounds have a promising thermoelectric potential, translated into a high dimensionless zT of 1.3 at 560 K.","lang":"eng"}],"intvolume":"        17","main_file_link":[{"url":"https://ddd.uab.cat/pub/artpub/2023/zlnqprw07rek/acsnan_a2023_Pre.pdf","open_access":"1"}],"title":"Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites","article_type":"original","volume":17,"OA_place":"repository","publication":"ACS Nano","pmid":1,"publisher":"American Chemical Society","day":"09","_id":"12915"},{"doi":"10.2422/2036-2145.202010_018","publication_status":"published","oa_version":"Preprint","type":"journal_article","status":"public","date_updated":"2024-10-09T21:05:05Z","department":[{"_id":"TiBr"}],"article_processing_charge":"No","author":[{"full_name":"Bonolis, Dante","last_name":"Bonolis","id":"6A459894-5FDD-11E9-AF35-BB24E6697425","first_name":"Dante"},{"first_name":"Timothy D","orcid":"0000-0002-8314-0177","id":"35827D50-F248-11E8-B48F-1D18A9856A87","full_name":"Browning, Timothy D","last_name":"Browning"}],"scopus_import":"1","corr_author":"1","citation":{"ista":"Bonolis D, Browning TD. 2023. Uniform bounds for rational points on hyperelliptic fibrations. Annali della Scuola Normale Superiore di Pisa - Classe di Scienze. 24(1), 173–204.","ieee":"D. Bonolis and T. D. Browning, “Uniform bounds for rational points on hyperelliptic fibrations,” <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>, vol. 24, no. 1. Scuola Normale Superiore - Edizioni della Normale, pp. 173–204, 2023.","short":"D. Bonolis, T.D. Browning, Annali Della Scuola Normale Superiore Di Pisa - Classe Di Scienze 24 (2023) 173–204.","mla":"Bonolis, Dante, and Timothy D. Browning. “Uniform Bounds for Rational Points on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa - Classe Di Scienze</i>, vol. 24, no. 1, Scuola Normale Superiore - Edizioni della Normale, 2023, pp. 173–204, doi:<a href=\"https://doi.org/10.2422/2036-2145.202010_018\">10.2422/2036-2145.202010_018</a>.","ama":"Bonolis D, Browning TD. Uniform bounds for rational points on hyperelliptic fibrations. <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>. 2023;24(1):173-204. doi:<a href=\"https://doi.org/10.2422/2036-2145.202010_018\">10.2422/2036-2145.202010_018</a>","apa":"Bonolis, D., &#38; Browning, T. D. (2023). Uniform bounds for rational points on hyperelliptic fibrations. <i>Annali Della Scuola Normale Superiore Di Pisa - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale. <a href=\"https://doi.org/10.2422/2036-2145.202010_018\">https://doi.org/10.2422/2036-2145.202010_018</a>","chicago":"Bonolis, Dante, and Timothy D Browning. “Uniform Bounds for Rational Points on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale, 2023. <a href=\"https://doi.org/10.2422/2036-2145.202010_018\">https://doi.org/10.2422/2036-2145.202010_018</a>."},"language":[{"iso":"eng"}],"external_id":{"arxiv":["2007.14182"]},"page":"173-204","publication_identifier":{"issn":["0391-173X"],"eissn":["2036-2145"]},"month":"02","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2007.14182","open_access":"1"}],"date_created":"2023-05-07T22:01:04Z","abstract":[{"lang":"eng","text":"We apply a variant of the square-sieve to produce an upper bound for the number of rational points of bounded height on a family of surfaces that admit a fibration over P1 whose general fibre is a hyperelliptic curve. The implied constant does not depend on the coefficients of the polynomial defining the surface.\r\n"}],"intvolume":"        24","quality_controlled":"1","date_published":"2023-02-16T00:00:00Z","issue":"1","year":"2023","oa":1,"_id":"12916","day":"16","publisher":"Scuola Normale Superiore - Edizioni della Normale","arxiv":1,"publication":"Annali della Scuola Normale Superiore di Pisa - Classe di Scienze","volume":24,"title":"Uniform bounds for rational points on hyperelliptic fibrations","article_type":"original"},{"month":"05","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"1367-1374","publication_identifier":{"eissn":["1437-210X"],"issn":["0039-7881"]},"citation":{"chicago":"Murakami, Sho, Cosima Brudy, Moritz Bachmann, Yoshiji Takemoto, and Bartholomäus Pieber. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” <i>Synthesis</i>. Georg Thieme Verlag, 2023. <a href=\"https://doi.org/10.1055/a-1979-5933\">https://doi.org/10.1055/a-1979-5933</a>.","apa":"Murakami, S., Brudy, C., Bachmann, M., Takemoto, Y., &#38; Pieber, B. (2023). Photocatalytic cleavage of trityl protected thiols and alcohols. <i>Synthesis</i>. Georg Thieme Verlag. <a href=\"https://doi.org/10.1055/a-1979-5933\">https://doi.org/10.1055/a-1979-5933</a>","ama":"Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. Photocatalytic cleavage of trityl protected thiols and alcohols. <i>Synthesis</i>. 2023;55(09):1367-1374. doi:<a href=\"https://doi.org/10.1055/a-1979-5933\">10.1055/a-1979-5933</a>","mla":"Murakami, Sho, et al. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” <i>Synthesis</i>, vol. 55, no. 09, Georg Thieme Verlag, 2023, pp. 1367–74, doi:<a href=\"https://doi.org/10.1055/a-1979-5933\">10.1055/a-1979-5933</a>.","short":"S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, B. Pieber, Synthesis 55 (2023) 1367–1374.","ieee":"S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, and B. Pieber, “Photocatalytic cleavage of trityl protected thiols and alcohols,” <i>Synthesis</i>, vol. 55, no. 09. Georg Thieme Verlag, pp. 1367–1374, 2023.","ista":"Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. 2023. Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. 55(09), 1367–1374."},"language":[{"iso":"eng"}],"extern":"1","scopus_import":"1","article_processing_charge":"No","author":[{"last_name":"Murakami","full_name":"Murakami, Sho","first_name":"Sho"},{"first_name":"Cosima","last_name":"Brudy","full_name":"Brudy, Cosima"},{"full_name":"Bachmann, Moritz","last_name":"Bachmann","first_name":"Moritz"},{"last_name":"Takemoto","full_name":"Takemoto, Yoshiji","first_name":"Yoshiji"},{"id":"93e5e5b2-0da6-11ed-8a41-af589a024726","orcid":"0000-0001-8689-388X","first_name":"Bartholomäus","last_name":"Pieber","full_name":"Pieber, Bartholomäus"}],"date_updated":"2024-10-14T12:08:22Z","status":"public","publication_status":"published","doi":"10.1055/a-1979-5933","type":"journal_article","oa_version":"None","volume":55,"article_type":"original","title":"Photocatalytic cleavage of trityl protected thiols and alcohols","keyword":["Organic Chemistry","Catalysis"],"publication":"Synthesis","_id":"12919","publisher":"Georg Thieme Verlag","day":"01","date_published":"2023-05-01T00:00:00Z","year":"2023","issue":"09","abstract":[{"text":"We report the visible light photocatalytic cleavage of trityl thioethers or ethers under pH-neutral conditions. The method results in the formation of the respective symmetrical disulfides and alcohols in moderate to excellent yield. The protocol only requires the addition of a suitable photocatalyst and light rendering it orthogonal to several functionalities, including acid labile protective groups. The same conditions can be used to directly convert trityl-protected thiols into unsymmetrical disulfides or selenosulfides, and to cleave trityl resins in solid phase organic synthesis.","lang":"eng"}],"date_created":"2023-05-08T08:25:08Z","intvolume":"        55","quality_controlled":"1"},{"article_processing_charge":"No","author":[{"full_name":"Traxler, Michael","last_name":"Traxler","first_name":"Michael"},{"full_name":"Reischauer, Susanne","last_name":"Reischauer","first_name":"Susanne"},{"first_name":"Sarah","full_name":"Vogl, Sarah","last_name":"Vogl"},{"first_name":"Jérôme","full_name":"Roeser, Jérôme","last_name":"Roeser"},{"full_name":"Rabeah, Jabor","last_name":"Rabeah","first_name":"Jabor"},{"full_name":"Penschke, Christopher","last_name":"Penschke","first_name":"Christopher"},{"first_name":"Peter","full_name":"Saalfrank, Peter","last_name":"Saalfrank"},{"last_name":"Pieber","full_name":"Pieber, Bartholomäus","orcid":"0000-0001-8689-388X","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","first_name":"Bartholomäus"},{"first_name":"Arne","last_name":"Thomas","full_name":"Thomas, Arne"}],"date_updated":"2024-10-14T12:08:10Z","status":"public","doi":"10.1002/chem.202202967","publication_status":"published","oa_version":"Published Version","type":"journal_article","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"01","publication_identifier":{"eissn":["1521-3765"],"issn":["0947-6539"]},"article_number":"e202202967","citation":{"ama":"Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. <i>Chemistry – A European Journal</i>. 2023;29(4). doi:<a href=\"https://doi.org/10.1002/chem.202202967\">10.1002/chem.202202967</a>","chicago":"Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” <i>Chemistry – A European Journal</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/chem.202202967\">https://doi.org/10.1002/chem.202202967</a>.","apa":"Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C., … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. <i>Chemistry – A European Journal</i>. Wiley. <a href=\"https://doi.org/10.1002/chem.202202967\">https://doi.org/10.1002/chem.202202967</a>","mla":"Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” <i>Chemistry – A European Journal</i>, vol. 29, no. 4, e202202967, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/chem.202202967\">10.1002/chem.202202967</a>.","short":"M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023).","ista":"Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 29(4), e202202967.","ieee":"M. Traxler <i>et al.</i>, “Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts,” <i>Chemistry – A European Journal</i>, vol. 29, no. 4. Wiley, 2023."},"language":[{"iso":"eng"}],"scopus_import":"1","extern":"1","oa":1,"date_published":"2023-01-18T00:00:00Z","issue":"4","year":"2023","main_file_link":[{"url":"https://doi.org/10.1002/chem.202202967","open_access":"1"}],"abstract":[{"text":"The multicomponent approach allows to incorporate several functionalities into a single covalent organic framework (COF) and consequently allows the construction of bifunctional materials for cooperative catalysis. The well-defined structure of such multicomponent COFs is furthermore ideally suited for structure-activity relationship studies. We report a series of multicomponent COFs that contain acridine- and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives. The acridine motif is responsible for broad light absorption, while the bipyridine unit enables complexation of nickel catalysts. These features enable the usage of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings. Variation of the node units shows that the catalytic activity correlates to the keto-enamine tautomer isomerism. This allows switching between high charge-carrier mobility and persistent, localized charge-separated species depending on the nodes, a tool to tailor the materials for specific reactions. Moreover, nickel-loaded COFs are recyclable and catalyze cross-couplings even using red light irradiation.","lang":"eng"}],"date_created":"2023-05-08T08:25:34Z","intvolume":"        29","quality_controlled":"1","volume":29,"title":"Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts","article_type":"original","publication":"Chemistry – A European Journal","keyword":["General Chemistry","Catalysis","Organic Chemistry"],"_id":"12920","day":"18","publisher":"Wiley"},{"date_published":"2023-04-06T00:00:00Z","issue":"7","year":"2023","oa":1,"main_file_link":[{"url":"https://doi.org/10.1002/cctc.202201583","open_access":"1"}],"abstract":[{"lang":"eng","text":"Visible-light photocatalysis provides numerous useful methodologies for synthetic organic chemistry. However, the mechanisms of these reactions are often not fully understood. Common mechanistic experiments mainly aim to characterize excited state properties of photocatalysts and their interaction with other species. Recently, in situ reaction monitoring using dedicated techniques was shown to be well-suited for the identification of intermediates and to obtain kinetic insights, thereby providing more holistic pictures of the reactions of interest. This minireview surveys these technologies and discusses selected examples where reaction monitoring was used to elucidate the mechanism of photocatalytic reactions."}],"intvolume":"        15","date_created":"2023-05-08T08:25:55Z","quality_controlled":"1","publication":"ChemCatChem","keyword":["Inorganic Chemistry","Organic Chemistry","Physical and Theoretical Chemistry","Catalysis"],"volume":15,"title":"In situ reaction monitoring in photocatalytic organic synthesis","article_type":"original","_id":"12921","day":"06","publisher":"Wiley","date_updated":"2024-10-14T12:07:59Z","author":[{"first_name":"Amiera","full_name":"Madani, Amiera","last_name":"Madani"},{"full_name":"Pieber, Bartholomäus","last_name":"Pieber","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","orcid":"0000-0001-8689-388X","first_name":"Bartholomäus"}],"article_processing_charge":"No","doi":"10.1002/cctc.202201583","publication_status":"published","oa_version":"Published Version","type":"journal_article","status":"public","publication_identifier":{"eissn":["1867-3899"],"issn":["1867-3880"]},"month":"04","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","extern":"1","article_number":"e202201583","citation":{"ieee":"A. Madani and B. Pieber, “In situ reaction monitoring in photocatalytic organic synthesis,” <i>ChemCatChem</i>, vol. 15, no. 7. Wiley, 2023.","ista":"Madani A, Pieber B. 2023. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 15(7), e202201583.","short":"A. Madani, B. Pieber, ChemCatChem 15 (2023).","mla":"Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” <i>ChemCatChem</i>, vol. 15, no. 7, e202201583, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/cctc.202201583\">10.1002/cctc.202201583</a>.","apa":"Madani, A., &#38; Pieber, B. (2023). In situ reaction monitoring in photocatalytic organic synthesis. <i>ChemCatChem</i>. Wiley. <a href=\"https://doi.org/10.1002/cctc.202201583\">https://doi.org/10.1002/cctc.202201583</a>","chicago":"Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” <i>ChemCatChem</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/cctc.202201583\">https://doi.org/10.1002/cctc.202201583</a>.","ama":"Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis. <i>ChemCatChem</i>. 2023;15(7). doi:<a href=\"https://doi.org/10.1002/cctc.202201583\">10.1002/cctc.202201583</a>"},"language":[{"iso":"eng"}]},{"year":"2023","issue":"2","date_published":"2023-01-09T00:00:00Z","oa":1,"quality_controlled":"1","intvolume":"        62","date_created":"2023-05-08T08:28:14Z","abstract":[{"lang":"eng","text":"The influence of structural modifications on the catalytic activity of carbon materials is poorly understood. A collection of carbonaceous materials with different pore networks and high nitrogen content was characterized and used to catalyze four reactions to deduce structure–activity relationships. The CO2 cycloaddition and Knoevenagel reaction depend on Lewis basic sites (electron-rich nitrogen species). The absence of large conjugated carbon domains resulting from the introduction of large amounts of nitrogen in the carbon network is responsible for poor redox activity, as observed through the catalytic reduction of nitrobenzene with hydrazine and the catalytic oxidation of 3,3′,5,5′-tetramethylbenzidine using hydroperoxide. The material with the highest activity towards Lewis acid catalysis (in the hydrolysis of (dimethoxymethyl)benzene to benzaldehyde) is the most effective for small molecule activation and presents the highest concentration of electron-poor nitrogen species."}],"main_file_link":[{"url":"https://doi.org/10.1002/anie.202211663","open_access":"1"}],"publication":"Angewandte Chemie International Edition","keyword":["General Chemistry","Catalysis"],"article_type":"original","title":"Catalytic properties of high nitrogen content carbonaceous materials","volume":62,"publisher":"Wiley","day":"09","_id":"12922","date_updated":"2023-08-21T09:18:12Z","author":[{"full_name":"Lepre, Enrico","last_name":"Lepre","first_name":"Enrico"},{"last_name":"Rat","full_name":"Rat, Sylvain","first_name":"Sylvain"},{"first_name":"Cristian","last_name":"Cavedon","full_name":"Cavedon, Cristian"},{"full_name":"Seeberger, Peter H.","last_name":"Seeberger","first_name":"Peter H."},{"orcid":"0000-0001-8689-388X","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","first_name":"Bartholomäus","full_name":"Pieber, Bartholomäus","last_name":"Pieber"},{"last_name":"Antonietti","full_name":"Antonietti, Markus","first_name":"Markus"},{"full_name":"López‐Salas, Nieves","last_name":"López‐Salas","first_name":"Nieves"}],"article_processing_charge":"No","type":"journal_article","oa_version":"Published Version","publication_status":"published","doi":"10.1002/anie.202211663","status":"public","publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"01","extern":"1","scopus_import":"1","language":[{"iso":"eng"}],"citation":{"short":"E. Lepre, S. Rat, C. Cavedon, P.H. Seeberger, B. Pieber, M. Antonietti, N. López‐Salas, Angewandte Chemie International Edition 62 (2023).","ieee":"E. Lepre <i>et al.</i>, “Catalytic properties of high nitrogen content carbonaceous materials,” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2. Wiley, 2023.","ista":"Lepre E, Rat S, Cavedon C, Seeberger PH, Pieber B, Antonietti M, López‐Salas N. 2023. Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. 62(2), e202211663.","mla":"Lepre, Enrico, et al. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2, e202211663, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/anie.202211663\">10.1002/anie.202211663</a>.","ama":"Lepre E, Rat S, Cavedon C, et al. Catalytic properties of high nitrogen content carbonaceous materials. <i>Angewandte Chemie International Edition</i>. 2023;62(2). doi:<a href=\"https://doi.org/10.1002/anie.202211663\">10.1002/anie.202211663</a>","apa":"Lepre, E., Rat, S., Cavedon, C., Seeberger, P. H., Pieber, B., Antonietti, M., &#38; López‐Salas, N. (2023). Catalytic properties of high nitrogen content carbonaceous materials. <i>Angewandte Chemie International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.202211663\">https://doi.org/10.1002/anie.202211663</a>","chicago":"Lepre, Enrico, Sylvain Rat, Cristian Cavedon, Peter H. Seeberger, Bartholomäus Pieber, Markus Antonietti, and Nieves López‐Salas. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” <i>Angewandte Chemie International Edition</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/anie.202211663\">https://doi.org/10.1002/anie.202211663</a>."},"article_number":"e202211663"},{"date_published":"2023-05-12T00:00:00Z","year":"2023","tmp":{"short":"CC BY-NC (4.0)","name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode","image":"/images/cc_by_nc.png"},"oa":1,"abstract":[{"text":"basic data for use in code for experimental data analysis for manuscript under revision: \r\nDynamic pathogen detection and social feedback shape collective hygiene in ants\r\nCasillas-Pérez B, Boďová K, Grasse AV, Tkačik G, Cremer S","lang":"eng"}],"date_created":"2023-05-11T21:35:17Z","keyword":["collective behavior","host-pathogen interactions","social immunity","epidemiology","social insects","probabilistic modeling"],"title":"Data from: \"Dynamic pathogen detection and social feedback shape collective hygiene in ants\" ","_id":"12945","publisher":"Institute of Science and Technology Austria","day":"12","ddc":["570"],"contributor":[{"last_name":"Casillas Perez","id":"351ED2AA-F248-11E8-B48F-1D18A9856A87","first_name":"Barbara E","contributor_type":"data_collector"},{"contributor_type":"data_collector","first_name":"Anna V","id":"406F989C-F248-11E8-B48F-1D18A9856A87","last_name":"Grasse"},{"contributor_type":"researcher","first_name":"Katarina","last_name":"Bodova"},{"orcid":"0000-0002-6699-1455","id":"3D494DCA-F248-11E8-B48F-1D18A9856A87","contributor_type":"supervisor","first_name":"Gašper","last_name":"Tkačik"}],"date_updated":"2025-04-15T06:44:30Z","department":[{"_id":"SyCr"}],"author":[{"first_name":"Sylvia","id":"2F64EC8C-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-2193-3868","full_name":"Cremer, Sylvia","last_name":"Cremer"}],"article_processing_charge":"No","doi":"10.15479/AT:ISTA:12945","type":"research_data","oa_version":"None","status":"public","related_material":{"record":[{"id":"13127","relation":"used_in_publication","status":"public"}]},"file":[{"relation":"main_file","checksum":"3eadf17fd59ad8c98bf10bf63061863c","file_size":3414674,"date_updated":"2023-05-12T08:04:04Z","file_name":"Experimental_data.zip","content_type":"application/zip","creator":"scremer","file_id":"12947","success":1,"access_level":"open_access","date_created":"2023-05-12T08:04:04Z"},{"file_id":"12948","date_created":"2023-05-12T08:04:08Z","access_level":"open_access","success":1,"creator":"scremer","content_type":"application/octet-stream","date_updated":"2023-05-12T08:04:08Z","file_name":"README_Experimental_Data.md","checksum":"1b5e8e01a0989154a76b44e6d8d68f89","relation":"main_file","file_size":2113}],"acknowledgement":"This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant No. 771402; EPIDEMICSonCHIP) to SC, from the Scientific Grant Agency of the Slovak Republic (Grant No. 1/0521/20) to KB, and the Human Frontier Science Program (Grant No. RGP0065/2012) to GT.","acknowledged_ssus":[{"_id":"LifeSc"}],"month":"05","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","corr_author":"1","file_date_updated":"2023-05-12T08:04:08Z","citation":{"mla":"Cremer, Sylvia. <i>Data from: “Dynamic Pathogen Detection and Social Feedback Shape Collective Hygiene in Ants” </i>. Institute of Science and Technology Austria, 2023, doi:<a href=\"https://doi.org/10.15479/AT:ISTA:12945\">10.15479/AT:ISTA:12945</a>.","ista":"Cremer S. 2023. Data from: ‘Dynamic pathogen detection and social feedback shape collective hygiene in ants’ , Institute of Science and Technology Austria, <a href=\"https://doi.org/10.15479/AT:ISTA:12945\">10.15479/AT:ISTA:12945</a>.","short":"S. Cremer, (2023).","ieee":"S. Cremer, “Data from: ‘Dynamic pathogen detection and social feedback shape collective hygiene in ants’ .” Institute of Science and Technology Austria, 2023.","chicago":"Cremer, Sylvia. “Data from: ‘Dynamic Pathogen Detection and Social Feedback Shape Collective Hygiene in Ants’ .” Institute of Science and Technology Austria, 2023. <a href=\"https://doi.org/10.15479/AT:ISTA:12945\">https://doi.org/10.15479/AT:ISTA:12945</a>.","apa":"Cremer, S. (2023). Data from: “Dynamic pathogen detection and social feedback shape collective hygiene in ants” . Institute of Science and Technology Austria. <a href=\"https://doi.org/10.15479/AT:ISTA:12945\">https://doi.org/10.15479/AT:ISTA:12945</a>","ama":"Cremer S. Data from: “Dynamic pathogen detection and social feedback shape collective hygiene in ants” . 2023. doi:<a href=\"https://doi.org/10.15479/AT:ISTA:12945\">10.15479/AT:ISTA:12945</a>"},"has_accepted_license":"1"},{"year":"2023","department":[{"_id":"NiBa"}],"date_published":"2023-05-13T00:00:00Z","date_updated":"2025-09-09T13:07:07Z","oa":1,"author":[{"full_name":"Barton, Nicholas H","last_name":"Barton","orcid":"0000-0002-8548-5240","id":"4880FE40-F248-11E8-B48F-1D18A9856A87","first_name":"Nicholas H"}],"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"article_processing_charge":"No","type":"research_data","oa_version":"Published Version","abstract":[{"text":"The classical infinitesimal model is a simple and robust model for the inheritance of quantitative traits. In this model, a quantitative trait is expressed as the sum of a genetic and a non-genetic (environmental) component and the genetic component of offspring traits within a family follows a normal distribution around the average of the parents’ trait values, and has a variance that is independent of the trait values of the parents. Although the trait distribution across the whole population can be far from normal, the trait distributions within families are normally distributed with a variance-covariance matrix that is determined entirely by that in  the ancestral population and the probabilities of identity determined by the pedigree. Moreover, conditioning on some of the trait values within the pedigree has predictable effects on the mean and variance within and between families. In previous work, Barton et al. (2017), we showed that when trait values are determined by the sum of a large number of Mendelian factors, each  of small effect, one can justify the infinitesimal model as limit of Mendelian inheritance. It was also shown that under some forms of epistasis, trait values within a family are still normally distributed.","lang":"eng"}],"date_created":"2023-05-13T09:49:09Z","doi":"10.15479/AT:ISTA:12949","status":"public","related_material":{"record":[{"id":"14452","relation":"used_in_publication","status":"public"}]},"file":[{"file_name":"Neutral identities 16th Jan","date_updated":"2023-05-13T09:36:33Z","file_size":13662,"checksum":"b0ce7d4b1ee7e7265430ceed36fc3336","relation":"main_file","date_created":"2023-05-13T09:36:33Z","access_level":"open_access","success":1,"file_id":"12950","creator":"nbarton","content_type":"application/octet-stream"},{"relation":"main_file","checksum":"ad5035ad4f7d3b150a252c79884f6a83","file_size":181619928,"date_updated":"2023-05-13T09:38:17Z","file_name":"p, zA, zD, N=30 neutral III","content_type":"application/octet-stream","creator":"nbarton","file_id":"12951","access_level":"open_access","success":1,"date_created":"2023-05-13T09:38:17Z"},{"file_id":"12952","date_created":"2023-05-13T09:41:59Z","access_level":"open_access","success":1,"creator":"nbarton","content_type":"application/octet-stream","file_name":"p, zA, zD, N=30 neutral IV","date_updated":"2023-05-13T09:41:59Z","checksum":"62182a1de796256edd6f4223704312ef","relation":"main_file","file_size":605902074},{"creator":"nbarton","content_type":"application/octet-stream","file_id":"12953","date_created":"2023-05-13T09:46:52Z","success":1,"access_level":"open_access","checksum":"af775dda5c4f6859cb1e5a81ec40a667","relation":"main_file","file_size":1018238746,"file_name":"p, zA, zD, N=30 selected k=5","date_updated":"2023-05-13T09:46:52Z"},{"date_updated":"2023-05-13T09:42:05Z","file_name":"Pairwise F N=30 neutral II","file_size":3197160,"checksum":"af26f3394c387d3ada14b434cd68b1e5","relation":"main_file","date_created":"2023-05-13T09:42:05Z","access_level":"open_access","success":1,"file_id":"12954","content_type":"application/octet-stream","creator":"nbarton"},{"access_level":"open_access","success":1,"date_created":"2023-05-13T09:42:06Z","file_id":"12955","creator":"nbarton","content_type":"application/octet-stream","date_updated":"2023-05-13T09:42:06Z","file_name":"Pedigrees N=30 neutral II","file_size":55492,"relation":"main_file","checksum":"d5da7dc0e7282dd48222e26d12e34220"},{"file_name":"selected reps N=30 selected k=1,2 300 reps III","date_updated":"2023-05-13T09:46:06Z","file_size":474003467,"relation":"main_file","checksum":"00f386d80677590e29f6235d49cba58d","success":1,"access_level":"open_access","date_created":"2023-05-13T09:46:06Z","file_id":"12956","content_type":"application/octet-stream","creator":"nbarton"},{"date_updated":"2023-05-13T09:46:08Z","file_name":"Algorithm for caclulating identities.nb","file_size":121209,"checksum":"658cef3eaea6136a4d24da4f074191d7","relation":"main_file","date_created":"2023-05-13T09:46:08Z","success":1,"access_level":"open_access","file_id":"12957","content_type":"application/octet-stream","creator":"nbarton"},{"file_size":1803898,"checksum":"db9b6dddd7a596d974e25f5e78f5c45c","relation":"main_file","file_name":"Infinitesimal with dominance.nb","date_updated":"2023-05-13T09:46:08Z","content_type":"application/octet-stream","creator":"nbarton","date_created":"2023-05-13T09:46:08Z","success":1,"access_level":"open_access","file_id":"12958"},{"access_level":"open_access","success":1,"date_created":"2023-05-16T04:09:08Z","file_id":"12967","content_type":"text/plain","creator":"nbarton","file_name":"ReadMe.txt","date_updated":"2023-05-16T04:09:08Z","file_size":990,"relation":"main_file","checksum":"91f80a9fb58cae8eef2d8bf59fe30189"}],"keyword":["Quantitative genetics","infinitesimal model"],"title":"The infinitesimal model with dominance","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"05","publisher":"Institute of Science and Technology Austria","corr_author":"1","project":[{"name":"Understanding the evolution of continuous genomes","_id":"bd6958e0-d553-11ed-ba76-86eba6a76c00","grant_number":"101055327"}],"day":"13","file_date_updated":"2023-05-16T04:09:08Z","_id":"12949","contributor":[{"last_name":"Veber","contributor_type":"researcher","first_name":"Amandine"},{"last_name":"Etheridge","contributor_type":"researcher","first_name":"Alison"}],"citation":{"ama":"Barton NH. The infinitesimal model with dominance. 2023. doi:<a href=\"https://doi.org/10.15479/AT:ISTA:12949\">10.15479/AT:ISTA:12949</a>","apa":"Barton, N. H. (2023). The infinitesimal model with dominance. Institute of Science and Technology Austria. <a href=\"https://doi.org/10.15479/AT:ISTA:12949\">https://doi.org/10.15479/AT:ISTA:12949</a>","chicago":"Barton, Nicholas H. “The Infinitesimal Model with Dominance.” Institute of Science and Technology Austria, 2023. <a href=\"https://doi.org/10.15479/AT:ISTA:12949\">https://doi.org/10.15479/AT:ISTA:12949</a>.","ieee":"N. H. Barton, “The infinitesimal model with dominance.” Institute of Science and Technology Austria, 2023.","short":"N.H. Barton, (2023).","ista":"Barton NH. 2023. The infinitesimal model with dominance, Institute of Science and Technology Austria, <a href=\"https://doi.org/10.15479/AT:ISTA:12949\">10.15479/AT:ISTA:12949</a>.","mla":"Barton, Nicholas H. <i>The Infinitesimal Model with Dominance</i>. Institute of Science and Technology Austria, 2023, doi:<a href=\"https://doi.org/10.15479/AT:ISTA:12949\">10.15479/AT:ISTA:12949</a>."},"ddc":["576"],"has_accepted_license":"1"},{"has_accepted_license":"1","article_number":"143","citation":{"ieee":"P. Gladbach, E. Kopfer, J. Maas, and L. Portinale, “Homogenisation of dynamical optimal transport on periodic graphs,” <i>Calculus of Variations and Partial Differential Equations</i>, vol. 62, no. 5. Springer Nature, 2023.","ista":"Gladbach P, Kopfer E, Maas J, Portinale L. 2023. Homogenisation of dynamical optimal transport on periodic graphs. Calculus of Variations and Partial Differential Equations. 62(5), 143.","short":"P. Gladbach, E. Kopfer, J. Maas, L. Portinale, Calculus of Variations and Partial Differential Equations 62 (2023).","mla":"Gladbach, Peter, et al. “Homogenisation of Dynamical Optimal Transport on Periodic Graphs.” <i>Calculus of Variations and Partial Differential Equations</i>, vol. 62, no. 5, 143, Springer Nature, 2023, doi:<a href=\"https://doi.org/10.1007/s00526-023-02472-z\">10.1007/s00526-023-02472-z</a>.","ama":"Gladbach P, Kopfer E, Maas J, Portinale L. Homogenisation of dynamical optimal transport on periodic graphs. <i>Calculus of Variations and Partial Differential Equations</i>. 2023;62(5). doi:<a href=\"https://doi.org/10.1007/s00526-023-02472-z\">10.1007/s00526-023-02472-z</a>","apa":"Gladbach, P., Kopfer, E., Maas, J., &#38; Portinale, L. (2023). Homogenisation of dynamical optimal transport on periodic graphs. <i>Calculus of Variations and Partial Differential Equations</i>. Springer Nature. <a href=\"https://doi.org/10.1007/s00526-023-02472-z\">https://doi.org/10.1007/s00526-023-02472-z</a>","chicago":"Gladbach, Peter, Eva Kopfer, Jan Maas, and Lorenzo Portinale. “Homogenisation of Dynamical Optimal Transport on Periodic Graphs.” <i>Calculus of Variations and Partial Differential Equations</i>. Springer Nature, 2023. <a href=\"https://doi.org/10.1007/s00526-023-02472-z\">https://doi.org/10.1007/s00526-023-02472-z</a>."},"language":[{"iso":"eng"}],"scopus_import":"1","project":[{"grant_number":"716117","name":"Optimal Transport and Stochastic Dynamics","_id":"256E75B8-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"grant_number":"F6504","name":"Taming Complexity in Partial Differential Systems","_id":"fc31cba2-9c52-11eb-aca3-ff467d239cd2"},{"_id":"260788DE-B435-11E9-9278-68D0E5697425","name":"Dissipation and dispersion in nonlinear partial differential equations","call_identifier":"FWF","grant_number":"W1245"}],"file_date_updated":"2023-10-04T11:34:10Z","corr_author":"1","month":"04","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"pmid":["37131846"],"isi":["000980588900001"],"arxiv":["2110.15321"]},"acknowledgement":"J.M. gratefully acknowledges support by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 716117). J.M and L.P. also acknowledge support from the Austrian Science Fund (FWF), grants No F65 and W1245. E.K. gratefully acknowledges support by the German Research Foundation through the Hausdorff Center for Mathematics and the Collaborative Research Center 1060. P.G. is partially funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)—350398276. We thank the anonymous reviewer for the careful reading and for useful suggestions. Open access funding provided by Austrian Science Fund (FWF).","file":[{"file_size":1240995,"checksum":"359bee38d94b7e0aa73925063cb8884d","relation":"main_file","date_updated":"2023-10-04T11:34:10Z","file_name":"2023_CalculusEquations_Gladbach.pdf","creator":"dernst","content_type":"application/pdf","date_created":"2023-10-04T11:34:10Z","access_level":"open_access","success":1,"file_id":"14393"}],"publication_identifier":{"issn":["0944-2669"],"eissn":["1432-0835"]},"isi":1,"status":"public","doi":"10.1007/s00526-023-02472-z","publication_status":"published","oa_version":"Published Version","type":"journal_article","article_processing_charge":"Yes (via OA deal)","author":[{"full_name":"Gladbach, Peter","last_name":"Gladbach","first_name":"Peter"},{"last_name":"Kopfer","full_name":"Kopfer, Eva","first_name":"Eva"},{"orcid":"0000-0002-0845-1338","id":"4C5696CE-F248-11E8-B48F-1D18A9856A87","first_name":"Jan","last_name":"Maas","full_name":"Maas, Jan"},{"full_name":"Portinale, Lorenzo","last_name":"Portinale","id":"30AD2CBC-F248-11E8-B48F-1D18A9856A87","first_name":"Lorenzo"}],"date_updated":"2025-05-15T10:54:12Z","department":[{"_id":"JaMa"}],"ddc":["510"],"pmid":1,"_id":"12959","day":"28","publisher":"Springer Nature","arxiv":1,"volume":62,"title":"Homogenisation of dynamical optimal transport on periodic graphs","article_type":"original","ec_funded":1,"publication":"Calculus of Variations and Partial Differential Equations","abstract":[{"text":"This paper deals with the large-scale behaviour of dynamical optimal transport on Zd\r\n-periodic graphs with general lower semicontinuous and convex energy densities. Our main contribution is a homogenisation result that describes the effective behaviour of the discrete problems in terms of a continuous optimal transport problem. The effective energy density can be explicitly expressed in terms of a cell formula, which is a finite-dimensional convex programming problem that depends non-trivially on the local geometry of the discrete graph and the discrete energy density. Our homogenisation result is derived from a Γ\r\n-convergence result for action functionals on curves of measures, which we prove under very mild growth conditions on the energy density. We investigate the cell formula in several cases of interest, including finite-volume discretisations of the Wasserstein distance, where non-trivial limiting behaviour occurs.","lang":"eng"}],"intvolume":"        62","date_created":"2023-05-14T22:01:00Z","quality_controlled":"1","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"oa":1,"date_published":"2023-04-28T00:00:00Z","issue":"5","year":"2023"},{"publication_identifier":{"eissn":["1095-7111"],"issn":["0097-5397"]},"external_id":{"isi":["001013183000012"]},"page":"452-486","acknowledgement":"The authors have received funding from the European Research Council under the European Union's ERC grant greement 339025 GUDHI (Algorithmic Foundations of Geometric Un-derstanding  in  Higher  Dimensions).   The  first  author  was  supported  by  the  French  government,through the 3IA C\\^ote d'Azur Investments in the Future project managed by the National ResearchAgency (ANR) with the reference ANR-19-P3IA-0002.  The third author was supported by the Eu-ropean Union's Horizon 2020 research and innovation programme under the Marie Sk\\lodowska-Curiegrant agreement 754411 and the FWF (Austrian Science Fund) grant M 3073.","related_material":{"record":[{"id":"9441","status":"public","relation":"earlier_version"}]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"04","project":[{"call_identifier":"H2020","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411"},{"_id":"fc390959-9c52-11eb-aca3-afa58bd282b2","name":"Learning and triangulating manifolds via collapses","grant_number":"M03073"}],"corr_author":"1","scopus_import":"1","language":[{"iso":"eng"}],"citation":{"ieee":"J. D. Boissonnat, S. Kachanovich, and M. Wintraecken, “Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations,” <i>SIAM Journal on Computing</i>, vol. 52, no. 2. Society for Industrial and Applied Mathematics, pp. 452–486, 2023.","ista":"Boissonnat JD, Kachanovich S, Wintraecken M. 2023. Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. SIAM Journal on Computing. 52(2), 452–486.","short":"J.D. Boissonnat, S. Kachanovich, M. Wintraecken, SIAM Journal on Computing 52 (2023) 452–486.","mla":"Boissonnat, Jean Daniel, et al. “Tracing Isomanifolds in Rd in Time Polynomial in d Using Coxeter–Freudenthal–Kuhn Triangulations.” <i>SIAM Journal on Computing</i>, vol. 52, no. 2, Society for Industrial and Applied Mathematics, 2023, pp. 452–86, doi:<a href=\"https://doi.org/10.1137/21M1412918\">10.1137/21M1412918</a>.","ama":"Boissonnat JD, Kachanovich S, Wintraecken M. Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. <i>SIAM Journal on Computing</i>. 2023;52(2):452-486. doi:<a href=\"https://doi.org/10.1137/21M1412918\">10.1137/21M1412918</a>","apa":"Boissonnat, J. D., Kachanovich, S., &#38; Wintraecken, M. (2023). Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations. <i>SIAM Journal on Computing</i>. Society for Industrial and Applied Mathematics. <a href=\"https://doi.org/10.1137/21M1412918\">https://doi.org/10.1137/21M1412918</a>","chicago":"Boissonnat, Jean Daniel, Siargey Kachanovich, and Mathijs Wintraecken. “Tracing Isomanifolds in Rd in Time Polynomial in d Using Coxeter–Freudenthal–Kuhn Triangulations.” <i>SIAM Journal on Computing</i>. Society for Industrial and Applied Mathematics, 2023. <a href=\"https://doi.org/10.1137/21M1412918\">https://doi.org/10.1137/21M1412918</a>."},"department":[{"_id":"HeEd"}],"date_updated":"2025-04-15T06:54:46Z","article_processing_charge":"No","author":[{"full_name":"Boissonnat, Jean Daniel","last_name":"Boissonnat","first_name":"Jean Daniel"},{"last_name":"Kachanovich","full_name":"Kachanovich, Siargey","first_name":"Siargey"},{"first_name":"Mathijs","id":"307CFBC8-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-7472-2220","last_name":"Wintraecken","full_name":"Wintraecken, Mathijs"}],"oa_version":"Submitted Version","type":"journal_article","doi":"10.1137/21M1412918","publication_status":"published","status":"public","isi":1,"publication":"SIAM Journal on Computing","title":"Tracing isomanifolds in Rd in time polynomial in d using Coxeter–Freudenthal–Kuhn triangulations","article_type":"original","ec_funded":1,"volume":52,"day":"30","publisher":"Society for Industrial and Applied Mathematics","_id":"12960","issue":"2","year":"2023","date_published":"2023-04-30T00:00:00Z","oa":1,"quality_controlled":"1","main_file_link":[{"open_access":"1","url":"https://hal-emse.ccsd.cnrs.fr/3IA-COTEDAZUR/hal-04083489v1"}],"intvolume":"        52","date_created":"2023-05-14T22:01:00Z","abstract":[{"lang":"eng","text":"Isomanifolds are the generalization of isosurfaces to arbitrary dimension and codimension, i.e., submanifolds of Rd defined as the zero set of some multivariate multivalued smooth function f:Rd→Rd−n, where n is the intrinsic dimension of the manifold. A natural way to approximate a smooth isomanifold M=f−1(0) is to consider its piecewise linear (PL) approximation M^\r\n based on a triangulation T of the ambient space Rd. In this paper, we describe a simple algorithm to trace isomanifolds from a given starting point. The algorithm works for arbitrary dimensions n and d, and any precision D. Our main result is that, when f (or M) has bounded complexity, the complexity of the algorithm is polynomial in d and δ=1/D (and unavoidably exponential in n). Since it is known that for δ=Ω(d2.5), M^ is O(D2)-close and isotopic to M\r\n, our algorithm produces a faithful PL-approximation of isomanifolds of bounded complexity in time polynomial in d. Combining this algorithm with dimensionality reduction techniques, the dependency on d in the size of M^ can be completely removed with high probability. We also show that the algorithm can handle isomanifolds with boundary and, more generally, isostratifolds. The algorithm for isomanifolds with boundary has been implemented and experimental results are reported, showing that it is practical and can handle cases that are far ahead of the state-of-the-art. "}]},{"oa_version":"None","type":"journal_article","doi":"10.1111/desc.13395","publication_status":"published","status":"public","department":[{"_id":"SyCr"}],"date_updated":"2023-10-04T11:37:33Z","article_processing_charge":"No","author":[{"last_name":"Wagner","full_name":"Wagner, Bernhard","first_name":"Bernhard"},{"full_name":"Šlipogor, Vedrana","last_name":"Šlipogor","first_name":"Vedrana"},{"orcid":"0000-0001-7425-2372","id":"403169A4-080F-11EA-9993-BF3F3DDC885E","first_name":"Jinook","full_name":"Oh, Jinook","last_name":"Oh"},{"last_name":"Varga","full_name":"Varga, Marion","first_name":"Marion"},{"last_name":"Hoeschele","full_name":"Hoeschele, Marisa","first_name":"Marisa"}],"scopus_import":"1","language":[{"iso":"eng"}],"article_number":"e13395","citation":{"ama":"Wagner B, Šlipogor V, Oh J, Varga M, Hoeschele M. A comparison between common marmosets (Callithrix jacchus) and human infants sheds light on traits proposed to be at the root of human octave equivalence. <i>Developmental Science</i>. 2023;26(5). doi:<a href=\"https://doi.org/10.1111/desc.13395\">10.1111/desc.13395</a>","chicago":"Wagner, Bernhard, Vedrana Šlipogor, Jinook Oh, Marion Varga, and Marisa Hoeschele. “A Comparison between Common Marmosets (Callithrix Jacchus) and Human Infants Sheds Light on Traits Proposed to Be at the Root of Human Octave Equivalence.” <i>Developmental Science</i>. Wiley, 2023. <a href=\"https://doi.org/10.1111/desc.13395\">https://doi.org/10.1111/desc.13395</a>.","apa":"Wagner, B., Šlipogor, V., Oh, J., Varga, M., &#38; Hoeschele, M. (2023). A comparison between common marmosets (Callithrix jacchus) and human infants sheds light on traits proposed to be at the root of human octave equivalence. <i>Developmental Science</i>. Wiley. <a href=\"https://doi.org/10.1111/desc.13395\">https://doi.org/10.1111/desc.13395</a>","mla":"Wagner, Bernhard, et al. “A Comparison between Common Marmosets (Callithrix Jacchus) and Human Infants Sheds Light on Traits Proposed to Be at the Root of Human Octave Equivalence.” <i>Developmental Science</i>, vol. 26, no. 5, e13395, Wiley, 2023, doi:<a href=\"https://doi.org/10.1111/desc.13395\">10.1111/desc.13395</a>.","ieee":"B. Wagner, V. Šlipogor, J. Oh, M. Varga, and M. Hoeschele, “A comparison between common marmosets (Callithrix jacchus) and human infants sheds light on traits proposed to be at the root of human octave equivalence,” <i>Developmental Science</i>, vol. 26, no. 5. Wiley, 2023.","short":"B. Wagner, V. Šlipogor, J. Oh, M. Varga, M. Hoeschele, Developmental Science 26 (2023).","ista":"Wagner B, Šlipogor V, Oh J, Varga M, Hoeschele M. 2023. A comparison between common marmosets (Callithrix jacchus) and human infants sheds light on traits proposed to be at the root of human octave equivalence. Developmental Science. 26(5), e13395."},"publication_identifier":{"eissn":["1467-7687"],"issn":["1363-755X"]},"external_id":{"pmid":["37101383"]},"acknowledgement":"We thank Prof. Dr. Thomas Bugnyar for supporting the study and financing the marmoset laboratory, and Alexandra Bohmann and the animal keeping team for their care. Vedrana Šlipogor was funded by University of South Bohemia postdoctoral fellowship.","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"09","quality_controlled":"1","abstract":[{"lang":"eng","text":"Two notes separated by a doubling in frequency sound similar to humans. This “octave equivalence” is critical to perception and production of music and speech and occurs early in human development. Because it also occurs cross-culturally, a biological basis of octave equivalence has been hypothesized. Members of our team previousy suggested four human traits are at the root of this phenomenon: (1) vocal learning, (2) clear octave information in vocal harmonics, (3) differing vocal ranges, and (4) vocalizing together. Using cross-species studies, we can test how relevant these respective traits are, while controlling for enculturation effects and addressing questions of phylogeny. Common marmosets possess forms of three of the four traits, lacking differing vocal ranges. We tested 11 common marmosets by adapting an established head-turning paradigm, creating a parallel test to an important infant study. Unlike human infants, marmosets responded similarly to tones shifted by an octave or other intervals. Because previous studies with the same head-turning paradigm produced differential results to discernable acoustic stimuli in common marmosets, our results suggest that marmosets do not perceive octave equivalence. Our work suggests differing vocal ranges between adults and children and men and women and the way they are used in singing together may be critical to the development of octave equivalence."}],"date_created":"2023-05-14T22:01:00Z","intvolume":"        26","issue":"5","year":"2023","date_published":"2023-09-01T00:00:00Z","day":"01","publisher":"Wiley","_id":"12961","pmid":1,"publication":"Developmental Science","article_type":"original","title":"A comparison between common marmosets (Callithrix jacchus) and human infants sheds light on traits proposed to be at the root of human octave equivalence","volume":26},{"quality_controlled":"1","date_created":"2023-05-16T08:47:25Z","abstract":[{"lang":"eng","text":"Embroidery is a long-standing and high-quality approach to making logos and images on textiles. Nowadays, it can also be performed via automated machines that weave threads with high spatial accuracy. A characteristic feature of the appearance of the threads is a high degree of anisotropy. The anisotropic behavior is caused by depositing thin but long strings of thread. As a result, the stitched patterns convey both color and direction. Artists leverage this anisotropic behavior to enhance pure color images with textures, illusions of motion, or depth cues. However, designing colorful embroidery patterns with prescribed directionality is a challenging task, one usually requiring an expert designer. In this work, we propose an interactive algorithm that generates machine-fabricable embroidery patterns from multi-chromatic images equipped with user-specified directionality fields.We cast the problem of finding a stitching pattern into vector theory. To find a suitable stitching pattern, we extract sources and sinks from the divergence field of the vector field extracted from the input and use them to trace streamlines. We further optimize the streamlines to guarantee a smooth and connected stitching pattern. The generated patterns approximate the color distribution constrained by the directionality field. To allow for further artistic control, the trade-off between color match and directionality match can be interactively explored via an intuitive slider. We showcase our approach by fabricating several embroidery paths."}],"intvolume":"        42","issue":"2","year":"2023","date_published":"2023-05-08T00:00:00Z","oa":1,"tmp":{"short":"CC BY-NC-ND (4.0)","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","image":"/images/cc_by_nc_nd.png"},"day":"08","publisher":"Wiley","_id":"12972","ddc":["004"],"keyword":["embroidery","design","directionality","density","image"],"publication":"Computer Graphics Forum","title":"Directionality-aware design of embroidery patterns","article_type":"original","ec_funded":1,"volume":42,"oa_version":"Published Version","type":"journal_article","doi":"10.1111/cgf.14770 ","publication_status":"published","status":"public","isi":1,"department":[{"_id":"BeBi"}],"date_updated":"2025-04-14T07:28:57Z","author":[{"last_name":"Liu","full_name":"Liu, Zhenyuan","first_name":"Zhenyuan","id":"70f0d7cf-ae65-11ec-a14f-89dfc5505b19","orcid":"0000-0001-9200-5690"},{"first_name":"Michael","id":"62E473F4-5C99-11EA-A40E-AF823DDC885E","orcid":"0000-0002-5062-4474","last_name":"Piovarci","full_name":"Piovarci, Michael"},{"first_name":"Christian","id":"400429CC-F248-11E8-B48F-1D18A9856A87","full_name":"Hafner, Christian","last_name":"Hafner"},{"first_name":"Raphael","id":"a3a24133-2cc7-11ec-be88-8ddaf6f464b1","full_name":"Charrondiere, Raphael","last_name":"Charrondiere"},{"last_name":"Bickel","full_name":"Bickel, Bernd","first_name":"Bernd","orcid":"0000-0001-6511-9385","id":"49876194-F248-11E8-B48F-1D18A9856A87"}],"article_processing_charge":"No","project":[{"grant_number":"M03319","name":"Perception-Aware Appearance Fabrication","_id":"eb901961-77a9-11ec-83b8-f5c883a62027"},{"grant_number":"715767","_id":"24F9549A-B435-11E9-9278-68D0E5697425","name":"MATERIALIZABLE: Intelligent fabrication-oriented Computational Design and Modeling","call_identifier":"H2020"}],"file_date_updated":"2023-05-16T08:28:37Z","corr_author":"1","scopus_import":"1","language":[{"iso":"eng"}],"has_accepted_license":"1","citation":{"ama":"Liu Z, Piovarci M, Hafner C, Charrondiere R, Bickel B. Directionality-aware design of embroidery patterns. <i>Computer Graphics Forum</i>. 2023;42(2):397-409. doi:<a href=\"https://doi.org/10.1111/cgf.14770 \">10.1111/cgf.14770 </a>","apa":"Liu, Z., Piovarci, M., Hafner, C., Charrondiere, R., &#38; Bickel, B. (2023). Directionality-aware design of embroidery patterns. <i>Computer Graphics Forum</i>. Saarbrucken, Germany: Wiley. <a href=\"https://doi.org/10.1111/cgf.14770 \">https://doi.org/10.1111/cgf.14770 </a>","chicago":"Liu, Zhenyuan, Michael Piovarci, Christian Hafner, Raphael Charrondiere, and Bernd Bickel. “Directionality-Aware Design of Embroidery Patterns.” <i>Computer Graphics Forum</i>. Wiley, 2023. <a href=\"https://doi.org/10.1111/cgf.14770 \">https://doi.org/10.1111/cgf.14770 </a>.","ieee":"Z. Liu, M. Piovarci, C. Hafner, R. Charrondiere, and B. Bickel, “Directionality-aware design of embroidery patterns,” <i>Computer Graphics Forum</i>, vol. 42, no. 2. Wiley, pp. 397–409, 2023.","short":"Z. Liu, M. Piovarci, C. Hafner, R. Charrondiere, B. Bickel, Computer Graphics Forum 42 (2023) 397–409.","ista":"Liu Z, Piovarci M, Hafner C, Charrondiere R, Bickel B. 2023. Directionality-aware design of embroidery patterns. Computer Graphics Forum. 42(2), 397–409.","mla":"Liu, Zhenyuan, et al. “Directionality-Aware Design of Embroidery Patterns.” <i>Computer Graphics Forum</i>, vol. 42, no. 2, Wiley, 2023, pp. 397–409, doi:<a href=\"https://doi.org/10.1111/cgf.14770 \">10.1111/cgf.14770 </a>."},"publication_identifier":{"issn":["1467-8659"]},"external_id":{"isi":["001000062600033"]},"acknowledgement":"This work was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No 715767 – MATERIALIZABLE), and FWF Lise Meitner (Grant M 3319). We thank the anonymous reviewers for their insightful feedback; Solal Pirelli, Shardul Chiplunkar, and Paola Mejia for proofreading; everyone in the visual computing group at ISTA for inspiring lunch and coffee breaks; Thibault Tricard for help producing the results of Phasor Noise.","file":[{"creator":"mpiovarc","content_type":"application/pdf","file_id":"12974","date_created":"2023-05-16T08:28:37Z","access_level":"open_access","success":1,"checksum":"4c188c2be4745467a8790bbf5d6491aa","relation":"main_file","file_size":24003702,"file_name":"Zhenyuan2023.pdf","date_updated":"2023-05-16T08:28:37Z"}],"page":"397-409","conference":{"end_date":"2023-05-12","name":"EG: Eurographics","location":"Saarbrucken, Germany","start_date":"2023-05-08"},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","month":"05"},{"quality_controlled":"1","abstract":[{"text":"3D printing based on continuous deposition of materials, such as filament-based 3D printing, has seen widespread adoption thanks to its versatility in working with a wide range of materials. An important shortcoming of this type of technology is its limited multi-material capabilities. While there are simple hardware designs that enable multi-material printing in principle, the required software is heavily underdeveloped. A typical hardware design fuses together individual materials fed into a single chamber from multiple inlets before they are deposited. This design, however, introduces a time delay between the intended material mixture and its actual deposition. In this work, inspired by diverse path planning research in robotics, we show that this mechanical challenge can be addressed via improved printer control. We propose to formulate the search for optimal multi-material printing policies in a reinforcement\r\nlearning setup. We put forward a simple numerical deposition model that takes into account the non-linear material mixing and delayed material deposition. To validate our system we focus on color fabrication, a problem known for its strict requirements for varying material mixtures at a high spatial frequency. We demonstrate that our learned control policy outperforms state-of-the-art hand-crafted algorithms.","lang":"eng"}],"date_created":"2023-05-16T09:14:09Z","intvolume":"      2023","year":"2023","date_published":"2023-07-04T00:00:00Z","oa":1,"publisher":"IEEE","day":"04","_id":"12976","ddc":["004"],"publication":"2023 IEEE International Conference on Robotics and Automation","keyword":["reinforcement learning","deposition","control","color","multi-filament"],"title":"Learning deposition policies for fused multi-material 3D printing","volume":2023,"type":"conference","oa_version":"Submitted Version","publication_status":"published","doi":"10.1109/ICRA48891.2023.10160465","status":"public","isi":1,"department":[{"_id":"BeBi"}],"date_updated":"2025-04-15T07:43:52Z","author":[{"full_name":"Liao, Kang","last_name":"Liao","first_name":"Kang"},{"last_name":"Tricard","full_name":"Tricard, Thibault","first_name":"Thibault"},{"first_name":"Michael","id":"62E473F4-5C99-11EA-A40E-AF823DDC885E","orcid":"0000-0002-5062-4474","last_name":"Piovarci","full_name":"Piovarci, Michael"},{"full_name":"Seidel, Hans-Peter","last_name":"Seidel","first_name":"Hans-Peter"},{"last_name":"Babaei","full_name":"Babaei, Vahid","first_name":"Vahid"}],"article_processing_charge":"No","file_date_updated":"2023-05-16T09:12:05Z","project":[{"grant_number":"M03319","name":"Perception-Aware Appearance Fabrication","_id":"eb901961-77a9-11ec-83b8-f5c883a62027"}],"scopus_import":"1","language":[{"iso":"eng"}],"citation":{"apa":"Liao, K., Tricard, T., Piovarci, M., Seidel, H.-P., &#38; Babaei, V. (2023). Learning deposition policies for fused multi-material 3D printing. In <i>2023 IEEE International Conference on Robotics and Automation</i> (Vol. 2023, pp. 12345–12352). London, United Kingdom: IEEE. <a href=\"https://doi.org/10.1109/ICRA48891.2023.10160465\">https://doi.org/10.1109/ICRA48891.2023.10160465</a>","chicago":"Liao, Kang, Thibault Tricard, Michael Piovarci, Hans-Peter Seidel, and Vahid Babaei. “Learning Deposition Policies for Fused Multi-Material 3D Printing.” In <i>2023 IEEE International Conference on Robotics and Automation</i>, 2023:12345–52. IEEE, 2023. <a href=\"https://doi.org/10.1109/ICRA48891.2023.10160465\">https://doi.org/10.1109/ICRA48891.2023.10160465</a>.","ama":"Liao K, Tricard T, Piovarci M, Seidel H-P, Babaei V. Learning deposition policies for fused multi-material 3D printing. In: <i>2023 IEEE International Conference on Robotics and Automation</i>. Vol 2023. IEEE; 2023:12345-12352. doi:<a href=\"https://doi.org/10.1109/ICRA48891.2023.10160465\">10.1109/ICRA48891.2023.10160465</a>","ista":"Liao K, Tricard T, Piovarci M, Seidel H-P, Babaei V. 2023. Learning deposition policies for fused multi-material 3D printing. 2023 IEEE International Conference on Robotics and Automation. ICRA: International Conference on Robotics and Automation vol. 2023, 12345–12352.","ieee":"K. Liao, T. Tricard, M. Piovarci, H.-P. Seidel, and V. Babaei, “Learning deposition policies for fused multi-material 3D printing,” in <i>2023 IEEE International Conference on Robotics and Automation</i>, London, United Kingdom, 2023, vol. 2023, pp. 12345–12352.","short":"K. Liao, T. Tricard, M. Piovarci, H.-P. Seidel, V. Babaei, in:, 2023 IEEE International Conference on Robotics and Automation, IEEE, 2023, pp. 12345–12352.","mla":"Liao, Kang, et al. “Learning Deposition Policies for Fused Multi-Material 3D Printing.” <i>2023 IEEE International Conference on Robotics and Automation</i>, vol. 2023, IEEE, 2023, pp. 12345–52, doi:<a href=\"https://doi.org/10.1109/ICRA48891.2023.10160465\">10.1109/ICRA48891.2023.10160465</a>."},"has_accepted_license":"1","publication_identifier":{"issn":["1050-4729"],"eisbn":["9798350323658"]},"file":[{"date_created":"2023-05-16T09:12:05Z","success":1,"access_level":"open_access","file_id":"12977","creator":"mpiovarc","content_type":"application/pdf","date_updated":"2023-05-16T09:12:05Z","file_name":"Liao2023.pdf","file_size":5367986,"checksum":"daeaa67124777d88487f933ea3f77164","relation":"main_file"}],"acknowledgement":"This work is graciously supported by FWF Lise Meitner (Grant M 3319). Kang Liao sincerely thank Emiliano Luci, Chunyu Lin, and Yao Zhao for their huge support.","page":"12345-12352","external_id":{"isi":["001048371104068"]},"month":"07","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","conference":{"start_date":"2023-05-29","location":"London, United Kingdom","name":"ICRA: International Conference on Robotics and Automation","end_date":"2023-06-02"}}]