[{"date_published":"2024-10-01T00:00:00Z","type":"journal_article","fulldoi":"https://doi.org/10.1038/s44220-024-00317-y","article_processing_charge":"No","month":"10","OA_type":"closed access","department":[{"_id":"GaNo"}],"publication_status":"published","date_created":"2025-08-10T22:01:30Z","_id":"20156","title":"Multi-omics analyses of the environMENTAL project provide insights into mental health and disease","year":"2024","date_updated":"2025-08-11T06:44:03Z","doi":"10.1038/s44220-024-00317-y","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","quality_controlled":"1","intvolume":"         2","publisher":"Springer Nature","author":[{"first_name":"Sylvane","full_name":"Desrivières, Sylvane","last_name":"Desrivières"},{"first_name":"Abigail","full_name":"Miller, Abigail","last_name":"Miller"},{"last_name":"Mathey","full_name":"Mathey, Carina M.","first_name":"Carina M."},{"first_name":"Xinyang","last_name":"Yu","full_name":"Yu, Xinyang"},{"first_name":"Di","last_name":"Chen","full_name":"Chen, Di"},{"first_name":"Kofoworola","full_name":"Agunbiade, Kofoworola","last_name":"Agunbiade"},{"last_name":"Heilmann-Heimbach","full_name":"Heilmann-Heimbach, Stefanie","first_name":"Stefanie"},{"first_name":"Andreas J.","last_name":"Forstner","full_name":"Forstner, Andreas J."},{"full_name":"Schumann, Gunter","last_name":"Schumann","first_name":"Gunter"},{"last_name":"Hoffmann","full_name":"Hoffmann, Per","first_name":"Per"},{"full_name":"Nöthen, Markus M.","last_name":"Nöthen","first_name":"Markus M."},{"first_name":"George","full_name":"Ogoh, George","last_name":"Ogoh"},{"first_name":"Bernd","full_name":"Stahl, Bernd","last_name":"Stahl"},{"first_name":"Allan H.","last_name":"Young","full_name":"Young, Allan H."},{"last_name":"Clinton","full_name":"Clinton, Nicholas","first_name":"Nicholas"},{"full_name":"Thompson, Paul","last_name":"Thompson","first_name":"Paul"},{"first_name":"Ameli","last_name":"Schwalber","full_name":"Schwalber, Ameli"},{"first_name":"Jingyu","full_name":"Liu, Jingyu","last_name":"Liu"},{"last_name":"Calhoun","full_name":"Calhoun, Vince","first_name":"Vince"},{"full_name":"Chang, Xiao","last_name":"Chang","first_name":"Xiao"},{"last_name":"Xia","full_name":"Xia, Yunman","first_name":"Yunman"},{"full_name":"Gong, Yanting","last_name":"Gong","first_name":"Yanting"},{"last_name":"Jia","full_name":"Jia, Tianye","first_name":"Tianye"},{"first_name":"Paul","full_name":"Renner, Paul","last_name":"Renner"},{"last_name":"Hese","full_name":"Hese, Sören","first_name":"Sören"},{"first_name":"Arantxa","last_name":"Giner","full_name":"Giner, Arantxa"},{"first_name":"Mavi","last_name":"Sanchez","full_name":"Sanchez, Mavi"},{"first_name":"Elena","full_name":"Alvarez, Elena","last_name":"Alvarez"},{"last_name":"Spanlang","full_name":"Spanlang, Bernhard","first_name":"Bernhard"},{"last_name":"Pearmund","full_name":"Pearmund, Charlie","first_name":"Charlie"},{"full_name":"Athanasiadis, Anastasios Polykarpos","last_name":"Athanasiadis","first_name":"Anastasios Polykarpos"},{"full_name":"Otten, Lisa","last_name":"Otten","first_name":"Lisa"},{"first_name":"Séverine","last_name":"Pitel","full_name":"Pitel, Séverine"},{"first_name":"Spase","last_name":"Petkoski","full_name":"Petkoski, Spase"},{"full_name":"Jirsa, Viktor","last_name":"Jirsa","first_name":"Viktor"},{"last_name":"Schmitt","full_name":"Schmitt, Karen","first_name":"Karen"},{"first_name":"Johannes","last_name":"Wilbertz","full_name":"Wilbertz, Johannes"},{"first_name":"Myrto","full_name":"Patraskaki, Myrto","last_name":"Patraskaki"},{"full_name":"Sommer, Peter","last_name":"Sommer","first_name":"Peter"},{"full_name":"Claus, Isabelle","last_name":"Claus","first_name":"Isabelle"},{"first_name":"Alvaro","last_name":"Pastor","full_name":"Pastor, Alvaro"},{"first_name":"Jaime","full_name":"Gallego, Jaime","last_name":"Gallego"},{"last_name":"Orosa","full_name":"Orosa, Francisco Eiroa","first_name":"Francisco Eiroa"},{"last_name":"Viapiana","full_name":"Viapiana, Guillem Feixas","first_name":"Guillem Feixas"},{"last_name":"Slater","full_name":"Slater, Mel","first_name":"Mel"},{"id":"4406F586-F248-11E8-B48F-1D18A9856A87","first_name":"Lena","full_name":"Marr, Lena","last_name":"Marr"},{"orcid":"0000-0002-7673-7178","first_name":"Gaia","id":"3E57A680-F248-11E8-B48F-1D18A9856A87","full_name":"Novarino, Gaia","last_name":"Novarino"},{"full_name":"Marquand, Andre","last_name":"Marquand","first_name":"Andre"},{"first_name":"Sarah Jane","full_name":"Böttger, Sarah Jane","last_name":"Böttger"},{"full_name":"Tschorn, Mira","last_name":"Tschorn","first_name":"Mira"},{"full_name":"Rapp, Michael","last_name":"Rapp","first_name":"Michael"},{"first_name":"Helga","full_name":"Ask, Helga","last_name":"Ask"},{"first_name":"Rikka","last_name":"Kjelkenes","full_name":"Kjelkenes, Rikka"},{"first_name":"Sara","full_name":"Fernandez, Sara","last_name":"Fernandez"},{"full_name":"Van Der Meer, Dennis","last_name":"Van Der Meer","first_name":"Dennis"},{"last_name":"Westlye","full_name":"Westlye, Lars T.","first_name":"Lars T."},{"full_name":"Andreassen, Ole A.","last_name":"Andreassen","first_name":"Ole A."},{"full_name":"Aden, Rieke","last_name":"Aden","first_name":"Rieke"},{"last_name":"Seefried","full_name":"Seefried, Beke","first_name":"Beke"},{"first_name":"Sebastian","full_name":"Siehl, Sebastian","last_name":"Siehl"},{"full_name":"Nees, Frauke","last_name":"Nees","first_name":"Frauke"},{"last_name":"Neidhart","full_name":"Neidhart, Maja","first_name":"Maja"},{"first_name":"Argyris","last_name":"Stringaris","full_name":"Stringaris, Argyris"},{"first_name":"Emanuel","last_name":"Schwarz","full_name":"Schwarz, Emanuel"},{"first_name":"Nathalie","full_name":"Holz, Nathalie","last_name":"Holz"},{"first_name":"Heike","full_name":"Tost, Heike","last_name":"Tost"},{"first_name":"Andreas","last_name":"Meyer-Lindenberg","full_name":"Meyer-Lindenberg, Andreas"},{"first_name":"Nina","full_name":"Christmann, Nina","last_name":"Christmann"},{"first_name":"Karina","full_name":"Jansone, Karina","last_name":"Jansone"},{"first_name":"Tobias","full_name":"Banaschewski, Tobias","last_name":"Banaschewski"},{"first_name":"Jamie","full_name":"Banks, Jamie","last_name":"Banks"},{"full_name":"Schepanski, Kerstin","last_name":"Schepanski","first_name":"Kerstin"},{"full_name":"Schütz, Tatjana","last_name":"Schütz","first_name":"Tatjana"},{"first_name":"Ulrike Helene","full_name":"Taron, Ulrike Helene","last_name":"Taron"},{"first_name":"Roland","full_name":"Eils, Roland","last_name":"Eils"},{"first_name":"Jean Charles","full_name":"Roy, Jean Charles","last_name":"Roy"},{"last_name":"Lett","full_name":"Lett, Tristram A.","first_name":"Tristram A."},{"first_name":"Hedi","full_name":"Kebir, Hedi","last_name":"Kebir"},{"full_name":"Polemiti, Elli","last_name":"Polemiti","first_name":"Elli"},{"full_name":"Hitchen, Esther","last_name":"Hitchen","first_name":"Esther"},{"first_name":"Marcel","last_name":"Jentsch","full_name":"Jentsch, Marcel"},{"first_name":"Emin","last_name":"Serin","full_name":"Serin, Emin"},{"first_name":"Antoine","full_name":"Bernas, Antoine","last_name":"Bernas"},{"last_name":"Vaidya","full_name":"Vaidya, Nilakshi","first_name":"Nilakshi"},{"first_name":"Sven","last_name":"Twardziok","full_name":"Twardziok, Sven"},{"first_name":"Markus","last_name":"Ralser","full_name":"Ralser, Markus"},{"full_name":"Heinz, Andreas","last_name":"Heinz","first_name":"Andreas"},{"first_name":"Henrik","last_name":"Walter","full_name":"Walter, Henrik"}],"oa_version":"None","language":[{"iso":"eng"}],"acknowledgement":"This work was supported by the Horizon 2021 (grant 101057429) and UK Research and Innovation (grants 10038599 and 10041392)-funded project environMENTAL. Other funding included the Medical Research Council and Medical Research Foundation (MR/R00465X/, MRF-058-0004-RG-DESRI, ‘ESTRA’- Neurobiological underpinning of eating disorders: integrative biopsychosocial longitudinal analyses in adolescents; and MR/S020306/1, MRF-058-0009-RG-DESR-C0759 ‘ESTRA’-Establishing causal relationships between biopsychosocial predictors and correlates of eating disorders and their mediation by neural pathways), the EU-funded FP6 Integrated Project IMAGEN (reinforcement-related behavior in normal brain function and psychopathology; LSHM-CT- 2007-037286), the Horizon 2020-funded European Research Council advanced grant for STRATIFY (brain network-based stratification of reinforcement-related disorders; 695313) and the National Institute for Health Research (NIHR) Biomedical Research Centre at South London and Maudsley NHS Foundation Trust and King’s College London. This paper represents independent research, partly funded by the NIHR Maudsley Biomedical Research Centre at South London and Maudsley NHS Foundation Trust and King’s College London. The views expressed are those of the authors and not necessarily those of the NIHR or the Department of Health and Social Care. The authors thank C. Schmäl for proofreading the manuscript.","issue":"10","citation":{"ieee":"S. Desrivières <i>et al.</i>, “Multi-omics analyses of the environMENTAL project provide insights into mental health and disease,” <i>Nature Mental Health</i>, vol. 2, no. 10. Springer Nature, pp. 1131–1133, 2024.","chicago":"Desrivières, Sylvane, Abigail Miller, Carina M. Mathey, Xinyang Yu, Di Chen, Kofoworola Agunbiade, Stefanie Heilmann-Heimbach, et al. “Multi-Omics Analyses of the EnvironMENTAL Project Provide Insights into Mental Health and Disease.” <i>Nature Mental Health</i>. Springer Nature, 2024. <a href=\"https://doi.org/10.1038/s44220-024-00317-y\">https://doi.org/10.1038/s44220-024-00317-y</a>.","short":"S. Desrivières, A. Miller, C.M. Mathey, X. Yu, D. Chen, K. Agunbiade, S. Heilmann-Heimbach, A.J. Forstner, G. Schumann, P. Hoffmann, M.M. Nöthen, G. Ogoh, B. Stahl, A.H. Young, N. Clinton, P. Thompson, A. Schwalber, J. Liu, V. Calhoun, X. Chang, Y. Xia, Y. Gong, T. Jia, P. Renner, S. Hese, A. Giner, M. Sanchez, E. Alvarez, B. Spanlang, C. Pearmund, A.P. Athanasiadis, L. Otten, S. Pitel, S. Petkoski, V. Jirsa, K. Schmitt, J. Wilbertz, M. Patraskaki, P. Sommer, I. Claus, A. Pastor, J. Gallego, F.E. Orosa, G.F. Viapiana, M. Slater, L. Marr, G. Novarino, A. Marquand, S.J. Böttger, M. Tschorn, M. Rapp, H. Ask, R. Kjelkenes, S. Fernandez, D. Van Der Meer, L.T. Westlye, O.A. Andreassen, R. Aden, B. Seefried, S. Siehl, F. Nees, M. Neidhart, A. Stringaris, E. Schwarz, N. Holz, H. Tost, A. Meyer-Lindenberg, N. Christmann, K. Jansone, T. Banaschewski, J. Banks, K. Schepanski, T. Schütz, U.H. Taron, R. Eils, J.C. Roy, T.A. Lett, H. Kebir, E. Polemiti, E. Hitchen, M. Jentsch, E. Serin, A. Bernas, N. Vaidya, S. Twardziok, M. Ralser, A. Heinz, H. Walter, Nature Mental Health 2 (2024) 1131–1133.","apa":"Desrivières, S., Miller, A., Mathey, C. M., Yu, X., Chen, D., Agunbiade, K., … Walter, H. (2024). Multi-omics analyses of the environMENTAL project provide insights into mental health and disease. <i>Nature Mental Health</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s44220-024-00317-y\">https://doi.org/10.1038/s44220-024-00317-y</a>","mla":"Desrivières, Sylvane, et al. “Multi-Omics Analyses of the EnvironMENTAL Project Provide Insights into Mental Health and Disease.” <i>Nature Mental Health</i>, vol. 2, no. 10, Springer Nature, 2024, pp. 1131–33, doi:<a href=\"https://doi.org/10.1038/s44220-024-00317-y\">10.1038/s44220-024-00317-y</a>.","ista":"Desrivières S, Miller A, Mathey CM, Yu X, Chen D, Agunbiade K, Heilmann-Heimbach S, Forstner AJ, Schumann G, Hoffmann P, Nöthen MM, Ogoh G, Stahl B, Young AH, Clinton N, Thompson P, Schwalber A, Liu J, Calhoun V, Chang X, Xia Y, Gong Y, Jia T, Renner P, Hese S, Giner A, Sanchez M, Alvarez E, Spanlang B, Pearmund C, Athanasiadis AP, Otten L, Pitel S, Petkoski S, Jirsa V, Schmitt K, Wilbertz J, Patraskaki M, Sommer P, Claus I, Pastor A, Gallego J, Orosa FE, Viapiana GF, Slater M, Marr L, Novarino G, Marquand A, Böttger SJ, Tschorn M, Rapp M, Ask H, Kjelkenes R, Fernandez S, Van Der Meer D, Westlye LT, Andreassen OA, Aden R, Seefried B, Siehl S, Nees F, Neidhart M, Stringaris A, Schwarz E, Holz N, Tost H, Meyer-Lindenberg A, Christmann N, Jansone K, Banaschewski T, Banks J, Schepanski K, Schütz T, Taron UH, Eils R, Roy JC, Lett TA, Kebir H, Polemiti E, Hitchen E, Jentsch M, Serin E, Bernas A, Vaidya N, Twardziok S, Ralser M, Heinz A, Walter H. 2024. Multi-omics analyses of the environMENTAL project provide insights into mental health and disease. Nature Mental Health. 2(10), 1131–1133.","ama":"Desrivières S, Miller A, Mathey CM, et al. Multi-omics analyses of the environMENTAL project provide insights into mental health and disease. <i>Nature Mental Health</i>. 2024;2(10):1131-1133. doi:<a href=\"https://doi.org/10.1038/s44220-024-00317-y\">10.1038/s44220-024-00317-y</a>"},"publication_identifier":{"eissn":["2731-6076"]},"abstract":[{"text":"Integrative analyses that incorporate different levels of ‘-omics’ data represent a powerful tool for deciphering the biological mechanisms that underlie environmental influences on mental health and disease. This Comment highlights various aspects of such multi-omics approaches, using the example of the EU-funded environMENTAL project.","lang":"eng"}],"volume":2,"scopus_import":"1","day":"01","article_type":"comment","publication":"Nature Mental Health","page":"1131-1133"},{"issue":"10","acknowledgement":"Funded provided by the European Union. Complementary funding was received by UK Research and Innovation (UKRI) under the UK government’s Horizon Europe funding guarantee (10131373and 10038599) and Ministry of Science and Technology of China (MOST) National Key Project of ‘Inter-governmental International Scientific and Technological Innovation Cooperation’ (2023YFE0199700).","language":[{"iso":"eng"}],"oa_version":"None","publication_identifier":{"eissn":["2731-6076"]},"citation":{"short":"B. Stahl, G. Ogoh, G. Schumann, H. Walter, B. Stahl, A.H. Young, S. Desrivières, N. Clinton, P. Thompson, A. Schwalber, J. Liu, V. Calhoun, X. Chang, Y. Xia, Y. Gong, T. Jia, P. Renner, S. Hese, A. Giner, M. Sanchez, E. Alvarez, B. Spanlang, C. Pearmund, A.P. Athanasiadis, L. Otten, S. Pitel, S. Petkoski, V. Jirsa, K. Schmitt, J. Wilbertz, M. Patraskaki, P. Sommer, S. Heilmann-Heimbach, C.M. Mathey, A. Miller, I. Claus, M.M. Nöthen, P. Hoffmann, A.J. Forstner, A. Pastor, J. Gallego, F.E. Orosa, G.F. Viapiana, M. Slater, L. Marr, G. Novarino, A. Marquand, S.J. Böttger, M. Tschorn, M. Rapp, H. Ask, R. Kjelkenes, S. Fernandez, D. Van Der Meer, L.T. Westlye, O.A. Andreassen, R. Aden, B. Seefried, S. Siehl, F. Nees, M. Neidhart, A. Stringaris, E. Schwarz, N. Holz, H. Tost, A. Meyer-Lindenberg, N. Christmann, K. Jansone, T. Banaschewski, J. Banks, K. Schepanski, T. Schütz, U.H. Taron, R. Eils, J.C. Roy, T.A. Lett, H. Kebir, E. Polemiti, E. Hitchen, M. Jentsch, E. Serin, A. Bernas, N. Vaidya, S. Twardziok, M. Ralser, A. Heinz, H. Walter, Nature Mental Health 2 (2024).","apa":"Stahl, B., Ogoh, G., Schumann, G., Walter, H., Stahl, B., Young, A. H., … Walter, H. (2024). Rethinking ethics in interdisciplinary and big data-driven neuroscience projects. <i>Nature Mental Health</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s44220-024-00320-3\">https://doi.org/10.1038/s44220-024-00320-3</a>","ieee":"B. Stahl <i>et al.</i>, “Rethinking ethics in interdisciplinary and big data-driven neuroscience projects,” <i>Nature Mental Health</i>, vol. 2, no. 10. Springer Nature, 2024.","chicago":"Stahl, Bernd, George Ogoh, Gunter Schumann, Henrik Walter, Bernd Stahl, Allan H. Young, Sylvane Desrivières, et al. “Rethinking Ethics in Interdisciplinary and Big Data-Driven Neuroscience Projects.” <i>Nature Mental Health</i>. Springer Nature, 2024. <a href=\"https://doi.org/10.1038/s44220-024-00320-3\">https://doi.org/10.1038/s44220-024-00320-3</a>.","ama":"Stahl B, Ogoh G, Schumann G, et al. Rethinking ethics in interdisciplinary and big data-driven neuroscience projects. <i>Nature Mental Health</i>. 2024;2(10). doi:<a href=\"https://doi.org/10.1038/s44220-024-00320-3\">10.1038/s44220-024-00320-3</a>","mla":"Stahl, Bernd, et al. “Rethinking Ethics in Interdisciplinary and Big Data-Driven Neuroscience Projects.” <i>Nature Mental Health</i>, vol. 2, no. 10, 1128–1130, Springer Nature, 2024, doi:<a href=\"https://doi.org/10.1038/s44220-024-00320-3\">10.1038/s44220-024-00320-3</a>.","ista":"Stahl B, Ogoh G, Schumann G, Walter H, Stahl B, Young AH, Desrivières S, Clinton N, Thompson P, Schwalber A, Liu J, Calhoun V, Chang X, Xia Y, Gong Y, Jia T, Renner P, Hese S, Giner A, Sanchez M, Alvarez E, Spanlang B, Pearmund C, Athanasiadis AP, Otten L, Pitel S, Petkoski S, Jirsa V, Schmitt K, Wilbertz J, Patraskaki M, Sommer P, Heilmann-Heimbach S, Mathey CM, Miller A, Claus I, Nöthen MM, Hoffmann P, Forstner AJ, Pastor A, Gallego J, Orosa FE, Viapiana GF, Slater M, Marr L, Novarino G, Marquand A, Böttger SJ, Tschorn M, Rapp M, Ask H, Kjelkenes R, Fernandez S, Van Der Meer D, Westlye LT, Andreassen OA, Aden R, Seefried B, Siehl S, Nees F, Neidhart M, Stringaris A, Schwarz E, Holz N, Tost H, Meyer-Lindenberg A, Christmann N, Jansone K, Banaschewski T, Banks J, Schepanski K, Schütz T, Taron UH, Eils R, Roy JC, Lett TA, Kebir H, Polemiti E, Hitchen E, Jentsch M, Serin E, Bernas A, Vaidya N, Twardziok S, Ralser M, Heinz A, Walter H. 2024. Rethinking ethics in interdisciplinary and big data-driven neuroscience projects. Nature Mental Health. 2(10), 1128–1130."},"article_type":"comment","day":"01","scopus_import":"1","volume":2,"abstract":[{"text":"The focus of much of contemporary research ethics is on compliance with established protocols. However, large data-driven neuroscience research raises new ethical concerns that have no agreed-upon solution. Here we reflect on these challenges and propose better integration of public and patient involvement in this evolving landscape.","lang":"eng"}],"publication":"Nature Mental Health","fulldoi":"https://doi.org/10.1038/s44220-024-00320-3","type":"journal_article","date_published":"2024-10-01T00:00:00Z","article_number":"1128-1130","date_created":"2025-08-10T22:01:30Z","publication_status":"published","department":[{"_id":"GaNo"}],"OA_type":"closed access","article_processing_charge":"No","month":"10","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","quality_controlled":"1","doi":"10.1038/s44220-024-00320-3","title":"Rethinking ethics in interdisciplinary and big data-driven neuroscience projects","year":"2024","date_updated":"2025-08-11T06:53:55Z","_id":"20157","author":[{"last_name":"Stahl","full_name":"Stahl, Bernd","first_name":"Bernd"},{"last_name":"Ogoh","full_name":"Ogoh, George","first_name":"George"},{"last_name":"Schumann","full_name":"Schumann, Gunter","first_name":"Gunter"},{"first_name":"Henrik","last_name":"Walter","full_name":"Walter, Henrik"},{"full_name":"Stahl, Bernd","last_name":"Stahl","first_name":"Bernd"},{"first_name":"Allan H.","last_name":"Young","full_name":"Young, Allan H."},{"last_name":"Desrivières","full_name":"Desrivières, Sylvane","first_name":"Sylvane"},{"full_name":"Clinton, Nicholas","last_name":"Clinton","first_name":"Nicholas"},{"last_name":"Thompson","full_name":"Thompson, Paul","first_name":"Paul"},{"last_name":"Schwalber","full_name":"Schwalber, Ameli","first_name":"Ameli"},{"full_name":"Liu, Jingyu","last_name":"Liu","first_name":"Jingyu"},{"first_name":"Vince","full_name":"Calhoun, Vince","last_name":"Calhoun"},{"last_name":"Chang","full_name":"Chang, Xiao","first_name":"Xiao"},{"first_name":"Yunman","last_name":"Xia","full_name":"Xia, Yunman"},{"first_name":"Yanting","full_name":"Gong, Yanting","last_name":"Gong"},{"first_name":"Tianye","last_name":"Jia","full_name":"Jia, Tianye"},{"last_name":"Renner","full_name":"Renner, Paul","first_name":"Paul"},{"first_name":"Sören","full_name":"Hese, Sören","last_name":"Hese"},{"first_name":"Arantxa","last_name":"Giner","full_name":"Giner, Arantxa"},{"first_name":"Mavi","full_name":"Sanchez, Mavi","last_name":"Sanchez"},{"first_name":"Elena","full_name":"Alvarez, Elena","last_name":"Alvarez"},{"last_name":"Spanlang","full_name":"Spanlang, Bernhard","first_name":"Bernhard"},{"full_name":"Pearmund, Charlie","last_name":"Pearmund","first_name":"Charlie"},{"last_name":"Athanasiadis","full_name":"Athanasiadis, Anastasios Polykarpos","first_name":"Anastasios Polykarpos"},{"first_name":"Lisa","last_name":"Otten","full_name":"Otten, Lisa"},{"full_name":"Pitel, Séverine","last_name":"Pitel","first_name":"Séverine"},{"full_name":"Petkoski, Spase","last_name":"Petkoski","first_name":"Spase"},{"full_name":"Jirsa, Viktor","last_name":"Jirsa","first_name":"Viktor"},{"first_name":"Karen","full_name":"Schmitt, Karen","last_name":"Schmitt"},{"full_name":"Wilbertz, Johannes","last_name":"Wilbertz","first_name":"Johannes"},{"first_name":"Myrto","last_name":"Patraskaki","full_name":"Patraskaki, Myrto"},{"last_name":"Sommer","full_name":"Sommer, Peter","first_name":"Peter"},{"first_name":"Stefanie","full_name":"Heilmann-Heimbach, Stefanie","last_name":"Heilmann-Heimbach"},{"first_name":"Carina M.","last_name":"Mathey","full_name":"Mathey, Carina M."},{"first_name":"Abigail","full_name":"Miller, Abigail","last_name":"Miller"},{"first_name":"Isabelle","last_name":"Claus","full_name":"Claus, Isabelle"},{"first_name":"Markus M.","full_name":"Nöthen, Markus M.","last_name":"Nöthen"},{"last_name":"Hoffmann","full_name":"Hoffmann, Per","first_name":"Per"},{"first_name":"Andreas J.","full_name":"Forstner, Andreas J.","last_name":"Forstner"},{"first_name":"Alvaro","last_name":"Pastor","full_name":"Pastor, Alvaro"},{"last_name":"Gallego","full_name":"Gallego, Jaime","first_name":"Jaime"},{"full_name":"Orosa, Francisco Eiroa","last_name":"Orosa","first_name":"Francisco Eiroa"},{"first_name":"Guillem Feixas","full_name":"Viapiana, Guillem Feixas","last_name":"Viapiana"},{"last_name":"Slater","full_name":"Slater, Mel","first_name":"Mel"},{"id":"4406F586-F248-11E8-B48F-1D18A9856A87","first_name":"Lena","last_name":"Marr","full_name":"Marr, Lena"},{"last_name":"Novarino","full_name":"Novarino, Gaia","id":"3E57A680-F248-11E8-B48F-1D18A9856A87","first_name":"Gaia","orcid":"0000-0002-7673-7178"},{"full_name":"Marquand, Andre","last_name":"Marquand","first_name":"Andre"},{"first_name":"Sarah Jane","last_name":"Böttger","full_name":"Böttger, Sarah Jane"},{"first_name":"Mira","full_name":"Tschorn, Mira","last_name":"Tschorn"},{"full_name":"Rapp, Michael","last_name":"Rapp","first_name":"Michael"},{"full_name":"Ask, Helga","last_name":"Ask","first_name":"Helga"},{"last_name":"Kjelkenes","full_name":"Kjelkenes, Rikka","first_name":"Rikka"},{"first_name":"Sara","full_name":"Fernandez, Sara","last_name":"Fernandez"},{"last_name":"Van Der Meer","full_name":"Van Der Meer, Dennis","first_name":"Dennis"},{"last_name":"Westlye","full_name":"Westlye, Lars T.","first_name":"Lars T."},{"full_name":"Andreassen, Ole A.","last_name":"Andreassen","first_name":"Ole A."},{"last_name":"Aden","full_name":"Aden, Rieke","first_name":"Rieke"},{"first_name":"Beke","full_name":"Seefried, Beke","last_name":"Seefried"},{"first_name":"Sebastian","full_name":"Siehl, Sebastian","last_name":"Siehl"},{"first_name":"Frauke","full_name":"Nees, Frauke","last_name":"Nees"},{"first_name":"Maja","last_name":"Neidhart","full_name":"Neidhart, Maja"},{"first_name":"Argyris","full_name":"Stringaris, Argyris","last_name":"Stringaris"},{"first_name":"Emanuel","last_name":"Schwarz","full_name":"Schwarz, Emanuel"},{"last_name":"Holz","full_name":"Holz, Nathalie","first_name":"Nathalie"},{"first_name":"Heike","last_name":"Tost","full_name":"Tost, Heike"},{"first_name":"Andreas","last_name":"Meyer-Lindenberg","full_name":"Meyer-Lindenberg, Andreas"},{"full_name":"Christmann, Nina","last_name":"Christmann","first_name":"Nina"},{"full_name":"Jansone, Karina","last_name":"Jansone","first_name":"Karina"},{"last_name":"Banaschewski","full_name":"Banaschewski, Tobias","first_name":"Tobias"},{"first_name":"Jamie","full_name":"Banks, Jamie","last_name":"Banks"},{"full_name":"Schepanski, Kerstin","last_name":"Schepanski","first_name":"Kerstin"},{"full_name":"Schütz, Tatjana","last_name":"Schütz","first_name":"Tatjana"},{"first_name":"Ulrike Helene","full_name":"Taron, Ulrike Helene","last_name":"Taron"},{"last_name":"Eils","full_name":"Eils, Roland","first_name":"Roland"},{"last_name":"Roy","full_name":"Roy, Jean Charles","first_name":"Jean Charles"},{"first_name":"Tristram A.","last_name":"Lett","full_name":"Lett, Tristram A."},{"first_name":"Hedi","full_name":"Kebir, Hedi","last_name":"Kebir"},{"full_name":"Polemiti, Elli","last_name":"Polemiti","first_name":"Elli"},{"last_name":"Hitchen","full_name":"Hitchen, Esther","first_name":"Esther"},{"first_name":"Marcel","full_name":"Jentsch, Marcel","last_name":"Jentsch"},{"first_name":"Emin","full_name":"Serin, Emin","last_name":"Serin"},{"first_name":"Antoine","full_name":"Bernas, Antoine","last_name":"Bernas"},{"last_name":"Vaidya","full_name":"Vaidya, Nilakshi","first_name":"Nilakshi"},{"last_name":"Twardziok","full_name":"Twardziok, Sven","first_name":"Sven"},{"first_name":"Markus","last_name":"Ralser","full_name":"Ralser, Markus"},{"last_name":"Heinz","full_name":"Heinz, Andreas","first_name":"Andreas"},{"last_name":"Walter","full_name":"Walter, Henrik","first_name":"Henrik"}],"publisher":"Springer Nature","intvolume":"         2"},{"article_type":"original","day":"01","scopus_import":"1","volume":12,"abstract":[{"text":"We demonstrate ion irradiation by argon or gallium as a wafer-scale post-processing method to increase disorder in superconducting thin films. We study several widely used superconductors, both single-elements and compounds. We show that ion irradiation increases normal-state resistivity in all our films, which is expected to enable tuning their superconducting properties, for example, toward a higher kinetic inductance. We observe an increase in superconducting transition temperature for Al and MoSi and a decrease for Nb, NbN, and TiN. In MoSi, ion irradiation also improves the mixing of the two materials. We demonstrate the fabrication of an amorphous and homogeneous film of MoSi with uniform thickness, which is promising, for example, for superconducting nanowire single-photon detectors.","lang":"eng"}],"project":[{"call_identifier":"H2020","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425"}],"publication":"APL Materials","ddc":["530"],"ec_funded":1,"issue":"7","acknowledgement":"We thank J. A. Sauls for useful discussions. For funding of our research project, we acknowledge the European Union’s Horizon 2020 Research and Innovation Program under Grant Agreement Nos. 862660/Quantum e-leaps, 899558/aCryComm, 766853/EFINED, and ECSEL programme 101007322/MatQu. This project has also received funding from Business Finland through Quantum Technologies Industrial (QuTI) Project No. 128291 and from Research Council of Finland through Grant Nos. 310909, 350220 and Finnish Quantum Flagship project 359284. This work was performed as part of the Research Council of Finland Centres of Excellence program (Project Nos. 336817, 336819, 352934, and 352935). We also acknowledge funding from an internal strategic innovation project of VTT related to the development of quantum computing technologies. This research was supported by the Scientific Service Units of IST Austria through resources provided by Electron Microscopy Facility. J. Senior acknowledges funding from the European Union’s Horizon 2020 Research and Innovation Program under the Marie Skłodowska-Curie Grant Agreement No. 754411. A. Ronzani acknowledges funding from Research Council of Finland (Research Fellowship Project No. 356542).","language":[{"iso":"eng"}],"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Published Version","publication_identifier":{"eissn":["2166-532X"]},"citation":{"chicago":"Kohopää, Katja, Alberto Ronzani, Robab Najafi Jabdaraghi, Arijit Bera, Mário Ribeiro, Dibyendu Hazra, Jorden L Senior, et al. “Effect of Ion Irradiation on Superconducting Thin Films.” <i>APL Materials</i>. AIP Publishing, 2024. <a href=\"https://doi.org/10.1063/5.0202851\">https://doi.org/10.1063/5.0202851</a>.","ieee":"K. Kohopää <i>et al.</i>, “Effect of ion irradiation on superconducting thin films,” <i>APL Materials</i>, vol. 12, no. 7. AIP Publishing, 2024.","apa":"Kohopää, K., Ronzani, A., Jabdaraghi, R. N., Bera, A., Ribeiro, M., Hazra, D., … Kemppinen, A. (2024). Effect of ion irradiation on superconducting thin films. <i>APL Materials</i>. AIP Publishing. <a href=\"https://doi.org/10.1063/5.0202851\">https://doi.org/10.1063/5.0202851</a>","short":"K. Kohopää, A. Ronzani, R.N. Jabdaraghi, A. Bera, M. Ribeiro, D. Hazra, J.L. Senior, M. Prunnila, J. Govenius, J.S. Lehtinen, A. Kemppinen, APL Materials 12 (2024).","ista":"Kohopää K, Ronzani A, Jabdaraghi RN, Bera A, Ribeiro M, Hazra D, Senior JL, Prunnila M, Govenius J, Lehtinen JS, Kemppinen A. 2024. Effect of ion irradiation on superconducting thin films. APL Materials. 12(7), 071101.","mla":"Kohopää, Katja, et al. “Effect of Ion Irradiation on Superconducting Thin Films.” <i>APL Materials</i>, vol. 12, no. 7, 071101, AIP Publishing, 2024, doi:<a href=\"https://doi.org/10.1063/5.0202851\">10.1063/5.0202851</a>.","ama":"Kohopää K, Ronzani A, Jabdaraghi RN, et al. Effect of ion irradiation on superconducting thin films. <i>APL Materials</i>. 2024;12(7). doi:<a href=\"https://doi.org/10.1063/5.0202851\">10.1063/5.0202851</a>"},"file_date_updated":"2024-07-16T06:30:30Z","file":[{"access_level":"open_access","success":1,"date_updated":"2024-07-16T06:30:30Z","file_size":9408198,"relation":"main_file","file_id":"17244","creator":"dernst","file_name":"2024_APLMaterial_Kohopaa.pdf","checksum":"32a5cdf0ea9c937f806b6039f3219917","date_created":"2024-07-16T06:30:30Z","content_type":"application/pdf"}],"has_accepted_license":"1","status":"public","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","quality_controlled":"1","doi":"10.1063/5.0202851","title":"Effect of ion irradiation on superconducting thin films","acknowledged_ssus":[{"_id":"EM-Fac"}],"year":"2024","date_updated":"2025-09-08T08:10:58Z","_id":"17235","isi":1,"author":[{"first_name":"Katja","full_name":"Kohopää, Katja","last_name":"Kohopää"},{"last_name":"Ronzani","full_name":"Ronzani, Alberto","first_name":"Alberto"},{"first_name":"Robab Najafi","last_name":"Jabdaraghi","full_name":"Jabdaraghi, Robab Najafi"},{"full_name":"Bera, Arijit","last_name":"Bera","first_name":"Arijit"},{"first_name":"Mário","last_name":"Ribeiro","full_name":"Ribeiro, Mário"},{"first_name":"Dibyendu","last_name":"Hazra","full_name":"Hazra, Dibyendu"},{"orcid":"0000-0002-0672-9295","id":"5479D234-2D30-11EA-89CC-40953DDC885E","first_name":"Jorden L","full_name":"Senior, Jorden L","last_name":"Senior"},{"first_name":"Mika","last_name":"Prunnila","full_name":"Prunnila, Mika"},{"first_name":"Joonas","last_name":"Govenius","full_name":"Govenius, Joonas"},{"first_name":"Janne S.","full_name":"Lehtinen, Janne S.","last_name":"Lehtinen"},{"first_name":"Antti","full_name":"Kemppinen, Antti","last_name":"Kemppinen"}],"oa":1,"publisher":"AIP Publishing","intvolume":"        12","fulldoi":"https://doi.org/10.1063/5.0202851","date_published":"2024-07-01T00:00:00Z","type":"journal_article","article_number":"071101","external_id":{"isi":["001260942200003"]},"date_created":"2024-07-14T22:01:11Z","publication_status":"published","department":[{"_id":"AnHi"}],"article_processing_charge":"Yes","month":"07"},{"day":"01","article_type":"original","scopus_import":"1","volume":364,"abstract":[{"text":"Bacterial cell walls are gigadalton-large cross-linked polymers with a wide range of motional amplitudes, including rather rigid as well as highly flexible parts. Magic-angle spinning NMR is a powerful method to obtain atomic-level information about intact cell walls. Here we investigate sensitivity and information content of different homonuclear 13Csingle bond13C and heteronuclear 1Hsingle bond15N, 1Hsingle bond13C and 15Nsingle bond13C correlation experiments. We demonstrate that a CPMAS CryoProbe yields ca. 8-fold increased signal-to-noise over a room-temperature probe, or a ca. 3–4-fold larger per-mass sensitivity. The increased sensitivity allowed to obtain high-resolution spectra even on intact bacteria. Moreover, we compare resolution and sensitivity of 1H MAS experiments obtained at 100 kHz vs. 55 kHz. Our study provides useful hints for choosing experiments to extract atomic-level details on cell-wall samples.","lang":"eng"}],"ddc":["570"],"publication":"Journal of Magnetic Resonance","tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Published Version","acknowledgement":"This research was supported by the French Agence Nationale de la Recherche (\r\nANR-16-CE11-0030-12, TransPepNMR). This work used the platforms of the Grenoble Instruct-ERIC center (ISBG; UAR 3518 CNRS-CEA-UGA-EMBL) within the Grenoble Partnership for Structural Biology (PSB), supported by FRISBI, France (ANR-10-INBS-0005-02\r\n) and GRAL, financed within the University Grenoble Alpes graduate school (Ecoles Universitaires de Recherche), CBH-EUR-GS (ANR-17-EURE-0003). Financial support from the IR INFRANALYTICS FR2054 for conducting the research and intramural funding by the Institute of Science and Technology Austria (ISTA) are gratefully acknowledged.","language":[{"iso":"eng"}],"file_date_updated":"2024-07-23T06:23:51Z","file":[{"creator":"dernst","relation":"main_file","file_id":"17316","file_size":2236665,"date_updated":"2024-07-23T06:23:51Z","success":1,"access_level":"open_access","content_type":"application/pdf","date_created":"2024-07-23T06:23:51Z","checksum":"4b59f4f0c287ecbafd808da1212ced38","file_name":"2024_JourMagneticResonance_Vallet.pdf"}],"publication_identifier":{"issn":["1090-7807"]},"citation":{"ama":"Vallet A, Ayala I, Perrone B, et al. MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments. <i>Journal of Magnetic Resonance</i>. 2024;364. doi:<a href=\"https://doi.org/10.1016/j.jmr.2024.107708\">10.1016/j.jmr.2024.107708</a>","ista":"Vallet A, Ayala I, Perrone B, Hassan A, Simorre J-P, Bougault C, Schanda P. 2024. MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments. Journal of Magnetic Resonance. 364, 107708.","mla":"Vallet, Alicia, et al. “MAS NMR Experiments of Corynebacterial Cell Walls: Complementary 1H- and CPMAS CryoProbe-Enhanced 13C-Detected Experiments.” <i>Journal of Magnetic Resonance</i>, vol. 364, 107708, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.jmr.2024.107708\">10.1016/j.jmr.2024.107708</a>.","apa":"Vallet, A., Ayala, I., Perrone, B., Hassan, A., Simorre, J.-P., Bougault, C., &#38; Schanda, P. (2024). MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments. <i>Journal of Magnetic Resonance</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.jmr.2024.107708\">https://doi.org/10.1016/j.jmr.2024.107708</a>","short":"A. Vallet, I. Ayala, B. Perrone, A. Hassan, J.-P. Simorre, C. Bougault, P. Schanda, Journal of Magnetic Resonance 364 (2024).","chicago":"Vallet, Alicia, Isabel Ayala, Barbara Perrone, Alia Hassan, Jean-Pierre Simorre, Catherine Bougault, and Paul Schanda. “MAS NMR Experiments of Corynebacterial Cell Walls: Complementary 1H- and CPMAS CryoProbe-Enhanced 13C-Detected Experiments.” <i>Journal of Magnetic Resonance</i>. Elsevier, 2024. <a href=\"https://doi.org/10.1016/j.jmr.2024.107708\">https://doi.org/10.1016/j.jmr.2024.107708</a>.","ieee":"A. Vallet <i>et al.</i>, “MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments,” <i>Journal of Magnetic Resonance</i>, vol. 364. Elsevier, 2024."},"_id":"17291","isi":1,"quality_controlled":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","status":"public","has_accepted_license":"1","doi":"10.1016/j.jmr.2024.107708","date_updated":"2025-09-09T12:01:41Z","year":"2024","title":"MAS NMR experiments of corynebacterial cell walls: Complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments","corr_author":"1","oa":1,"author":[{"first_name":"Alicia","full_name":"Vallet, Alicia","last_name":"Vallet"},{"last_name":"Ayala","full_name":"Ayala, Isabel","first_name":"Isabel"},{"full_name":"Perrone, Barbara","last_name":"Perrone","first_name":"Barbara"},{"full_name":"Hassan, Alia","last_name":"Hassan","first_name":"Alia"},{"first_name":"Jean-Pierre","full_name":"Simorre, Jean-Pierre","last_name":"Simorre"},{"first_name":"Catherine","last_name":"Bougault","full_name":"Bougault, Catherine"},{"last_name":"Schanda","full_name":"Schanda, Paul","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","first_name":"Paul","orcid":"0000-0002-9350-7606"}],"publisher":"Elsevier","intvolume":"       364","related_material":{"record":[{"id":"17042","relation":"research_data","status":"public"}]},"pmid":1,"date_published":"2024-07-01T00:00:00Z","type":"journal_article","fulldoi":"https://doi.org/10.1016/j.jmr.2024.107708","publication_status":"published","OA_type":"hybrid","department":[{"_id":"PaSc"}],"OA_place":"publisher","article_processing_charge":"Yes (via OA deal)","month":"07","article_number":"107708","external_id":{"pmid":["38901173"],"isi":["001259302800001"]},"date_created":"2024-07-22T07:44:10Z"},{"fulldoi":"https://doi.org/10.15479/AT:ISTA:17344","tmp":{"short":"CC BY (4.0)","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"},"type":"research_data","date_published":"2024-07-01T00:00:00Z","oa_version":"Published Version","date_created":"2024-07-29T14:01:43Z","citation":{"ama":"Surendranadh P, Sachdeva H. Mathematica notebook for “Effect of assortative mating and sexual selection on polygenic barriers to gene flow.” 2024. doi:<a href=\"https://doi.org/10.15479/AT:ISTA:17344\">10.15479/AT:ISTA:17344</a>","mla":"Surendranadh, Parvathy, and Himani Sachdeva. <i>Mathematica Notebook for “Effect of Assortative Mating and Sexual Selection on Polygenic Barriers to Gene Flow.”</i> Institute of Science and Technology Austria, 2024, doi:<a href=\"https://doi.org/10.15479/AT:ISTA:17344\">10.15479/AT:ISTA:17344</a>.","ista":"Surendranadh P, Sachdeva H. 2024. Mathematica notebook for ‘Effect of assortative mating and sexual selection on polygenic barriers to gene flow’, Institute of Science and Technology Austria, <a href=\"https://doi.org/10.15479/AT:ISTA:17344\">10.15479/AT:ISTA:17344</a>.","short":"P. Surendranadh, H. Sachdeva, (2024).","apa":"Surendranadh, P., &#38; Sachdeva, H. (2024). Mathematica notebook for “Effect of assortative mating and sexual selection on polygenic barriers to gene flow.” Institute of Science and Technology Austria. <a href=\"https://doi.org/10.15479/AT:ISTA:17344\">https://doi.org/10.15479/AT:ISTA:17344</a>","chicago":"Surendranadh, Parvathy, and Himani Sachdeva. “Mathematica Notebook for ‘Effect of Assortative Mating and Sexual Selection on Polygenic Barriers to Gene Flow.’” Institute of Science and Technology Austria, 2024. <a href=\"https://doi.org/10.15479/AT:ISTA:17344\">https://doi.org/10.15479/AT:ISTA:17344</a>.","ieee":"P. Surendranadh and H. Sachdeva, “Mathematica notebook for ‘Effect of assortative mating and sexual selection on polygenic barriers to gene flow.’” Institute of Science and Technology Austria, 2024."},"file_date_updated":"2024-07-29T13:51:11Z","department":[{"_id":"GradSch"},{"_id":"NiBa"}],"article_processing_charge":"No","month":"07","file":[{"content_type":"application/octet-stream","checksum":"75bdbc7ad7cc6afe4459bc4a8824a302","file_name":"Submission.nb","date_created":"2024-07-29T13:51:11Z","file_id":"17345","relation":"main_file","file_size":726132,"creator":"psurendr","success":1,"access_level":"open_access","date_updated":"2024-07-29T13:51:11Z"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","has_accepted_license":"1","doi":"10.15479/AT:ISTA:17344","acknowledged_ssus":[{"_id":"ScienComp"}],"date_updated":"2025-01-14T13:02:59Z","abstract":[{"lang":"eng","text":"This file contains the Mathematica notebook associated with the paper Effect of assortative mating and sexual selection on polygenic barriers to gene flow. It contains the numerical approximations, analyses, and simulations used in the study. "}],"year":"2024","title":"Mathematica notebook for 'Effect of assortative mating and sexual selection on polygenic barriers to gene flow'","_id":"17344","author":[{"id":"455235B8-F248-11E8-B48F-1D18A9856A87","first_name":"Parvathy","orcid":"0000-0001-6395-386X","last_name":"Surendranadh","full_name":"Surendranadh, Parvathy"},{"full_name":"Sachdeva, Himani","last_name":"Sachdeva","first_name":"Himani"}],"oa":1,"publisher":"Institute of Science and Technology Austria","ddc":["576"]},{"author":[{"first_name":"Bayan","full_name":"Karimi, Bayan","last_name":"Karimi"},{"full_name":"Steffensen, Gorm Ole","last_name":"Steffensen","first_name":"Gorm Ole"},{"full_name":"Higginbotham, Andrew P","last_name":"Higginbotham","orcid":"0000-0003-2607-2363","first_name":"Andrew P","id":"4AD6785A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Charles M.","full_name":"Marcus, Charles M.","last_name":"Marcus"},{"first_name":"Alfredo","last_name":"Levy Yeyati","full_name":"Levy Yeyati, Alfredo"},{"last_name":"Pekola","full_name":"Pekola, Jukka P.","first_name":"Jukka P."}],"oa":1,"publisher":"Springer Nature","intvolume":"        19","isi":1,"_id":"17480","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","status":"public","has_accepted_license":"1","quality_controlled":"1","doi":"10.1038/s41565-024-01770-7","title":"Bolometric detection of Josephson radiation","year":"2024","date_updated":"2026-06-03T07:16:01Z","publication_status":"published","OA_type":"hybrid","department":[{"_id":"AnHi"}],"month":"11","article_processing_charge":"No","OA_place":"publisher","external_id":{"arxiv":["2402.09314"],"isi":["001296522000002"]},"date_created":"2024-09-01T22:01:09Z","arxiv":1,"date_published":"2024-11-01T00:00:00Z","type":"journal_article","fulldoi":"https://doi.org/10.1038/s41565-024-01770-7","page":"1613-1618","ddc":["530"],"publication":"Nature Nanotechnology","project":[{"name":"Protected states of quantum matter","_id":"eb9b30ac-77a9-11ec-83b8-871f581d53d2"}],"article_type":"original","day":"01","scopus_import":"1","volume":19,"abstract":[{"text":"One of the most promising approaches towards large-scale quantum computation uses devices based on many Josephson junctions. Yet, even today, open questions regarding the single junction remain unsolved, such as the detailed understanding of the quantum phase transitions, the coupling of the Josephson junction to the environment or how to improve the coherence of a superconducting qubit. Here we design and build an engineered on-chip reservoir connected to a Josephson junction that acts as an efficient bolometer for detecting the Josephson radiation under non-equilibrium, that is, biased conditions. The bolometer converts the a.c. Josephson current at microwave frequencies up to about 100 GHz into a temperature rise measured by d.c. thermometry. A circuit model based on realistic parameter values captures both the current–voltage characteristics and the measured power quantitatively. The present experiment demonstrates an efficient, wide-band, thermal detection scheme of microwave photons and provides a sensitive detector of Josephson dynamics beyond the standard conductance measurements.","lang":"eng"}],"file_date_updated":"2025-01-09T13:51:12Z","file":[{"file_size":3047567,"relation":"main_file","file_id":"18818","creator":"dernst","access_level":"open_access","success":1,"date_updated":"2025-01-09T13:51:12Z","content_type":"application/pdf","file_name":"2024_NatureNanotechnology_Karimi.pdf","checksum":"8b067ef217ddef63c539ecdfe705ab95","date_created":"2025-01-09T13:51:12Z"}],"publication_identifier":{"eissn":["1748-3395"],"issn":["1748-3387"]},"citation":{"mla":"Karimi, Bayan, et al. “Bolometric Detection of Josephson Radiation.” <i>Nature Nanotechnology</i>, vol. 19, Springer Nature, 2024, pp. 1613–18, doi:<a href=\"https://doi.org/10.1038/s41565-024-01770-7\">10.1038/s41565-024-01770-7</a>.","ista":"Karimi B, Steffensen GO, Higginbotham AP, Marcus CM, Levy Yeyati A, Pekola JP. 2024. Bolometric detection of Josephson radiation. Nature Nanotechnology. 19, 1613–1618.","ama":"Karimi B, Steffensen GO, Higginbotham AP, Marcus CM, Levy Yeyati A, Pekola JP. Bolometric detection of Josephson radiation. <i>Nature Nanotechnology</i>. 2024;19:1613-1618. doi:<a href=\"https://doi.org/10.1038/s41565-024-01770-7\">10.1038/s41565-024-01770-7</a>","chicago":"Karimi, Bayan, Gorm Ole Steffensen, Andrew P Higginbotham, Charles M. Marcus, Alfredo Levy Yeyati, and Jukka P. Pekola. “Bolometric Detection of Josephson Radiation.” <i>Nature Nanotechnology</i>. Springer Nature, 2024. <a href=\"https://doi.org/10.1038/s41565-024-01770-7\">https://doi.org/10.1038/s41565-024-01770-7</a>.","ieee":"B. Karimi, G. O. Steffensen, A. P. Higginbotham, C. M. Marcus, A. Levy Yeyati, and J. P. Pekola, “Bolometric detection of Josephson radiation,” <i>Nature Nanotechnology</i>, vol. 19. Springer Nature, pp. 1613–1618, 2024.","short":"B. Karimi, G.O. Steffensen, A.P. Higginbotham, C.M. Marcus, A. Levy Yeyati, J.P. Pekola, Nature Nanotechnology 19 (2024) 1613–1618.","apa":"Karimi, B., Steffensen, G. O., Higginbotham, A. P., Marcus, C. M., Levy Yeyati, A., &#38; Pekola, J. P. (2024). Bolometric detection of Josephson radiation. <i>Nature Nanotechnology</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41565-024-01770-7\">https://doi.org/10.1038/s41565-024-01770-7</a>"},"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Published Version","acknowledgement":"We thank M. Möttönen, D. Subero, V. Vadimov, A. Alizadeh, C. Strunk, N. Roch, S. Kafanov, S. Kubatkin, A. Kerman and J. Peltonen for scientific discussions and Z.-Y. Chen for technical assistance. B.K. and J.P.P. acknowledge funding from the Research Council of Finland Centre of Excellence programme grant 336810 and grant 349601 (THEPOW), G.O.S. and A.L.Y. financial support from the Spanish Ministry of Science through grant TED2021-130292B-C43 funded by MCIN/AEI/10.13039/501100011033, ‘ERDF A way of making Europe’ and the EU through FET-Open project AndQC, A.P.H. support from the NOMIS Foundation, and C.M.M. support from the Danish National Research Foundation and a research grant (Project 43951) from VILLUM FONDEN. We thank the facilities and technical support of Otaniemi Research Infrastructure for Micro and Nanotechnologies (OtaNano). The funders had no role in study design, data collection and analysis, decision to publish or preparation of the paper.","language":[{"iso":"eng"}]},{"status":"public","quality_controlled":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","year":"2024","date_updated":"2025-10-22T06:40:54Z","title":"Generation of TIM chaperone substrate complexes","doi":"10.1016/bs.mie.2024.07.051","_id":"18167","corr_author":"1","author":[{"first_name":"Undina","id":"bb74f472-ae54-11eb-9835-bc9c22fb1183","full_name":"Guillerm, Undina","last_name":"Guillerm"},{"first_name":"Iva","last_name":"Sučec","full_name":"Sučec, Iva"},{"orcid":"0000-0002-9350-7606","first_name":"Paul","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","full_name":"Schanda, Paul","last_name":"Schanda"}],"intvolume":"       707","publisher":"Elsevier","fulldoi":"https://doi.org/10.1016/bs.mie.2024.07.051","pmid":1,"date_published":"2024-09-13T00:00:00Z","type":"book_chapter","external_id":{"pmid":["39488384"]},"date_created":"2024-10-01T10:58:27Z","publication_status":"published","month":"09","article_processing_charge":"No","OA_type":"closed access","department":[{"_id":"PaSc"}],"scopus_import":"1","day":"13","abstract":[{"text":"Holdase chaperones are essential in the mitochondrial membrane-protein biogenesis as they stabilize preproteins and keep them in an import-competent state as they travel through the aqueous cytosol and intermembrane space. The small TIM chaperones of the mitochondrial intermembrane space function within a fine balance of client promiscuity and high affinity binding, while being also able to release their client proteins without significant energy barrier to the downstream insertases/translocases. The tendency of the preproteins to aggregate and the dynamic nature of the preprotein—chaperone complexes makes the preparation of these complexes challenging. Here we present two optimized methods for complex formation of highly hydrophobic precursor proteins and chaperones: a pull-down approach and an in-vitro translation strategy. In the former, attaching the client protein to an affinity resin keeps the individual client protein copies apart from each other and decreases the client self-aggregation probability, thereby favouring complex formation. In the latter approach, a purified chaperone, added to the cell-free protein synthesis, captures the nascent precursor protein. The choice of method will depend on the desired client-chaperone complex amount, or the need for specific labeling scheme.","lang":"eng"}],"volume":707,"page":"391-422","publication":"Methods in Enzymology","language":[{"iso":"eng"}],"oa_version":"None","publication_identifier":{"issn":["0076-6879"]},"citation":{"mla":"Guillerm, Undina, et al. “Generation of TIM Chaperone Substrate Complexes.” <i>Methods in Enzymology</i>, vol. 707, Elsevier, 2024, pp. 391–422, doi:<a href=\"https://doi.org/10.1016/bs.mie.2024.07.051\">10.1016/bs.mie.2024.07.051</a>.","ista":"Guillerm U, Sučec I, Schanda P. 2024.Generation of TIM chaperone substrate complexes. In: Methods in Enzymology. vol. 707, 391–422.","ama":"Guillerm U, Sučec I, Schanda P. Generation of TIM chaperone substrate complexes. In: <i>Methods in Enzymology</i>. Vol 707. Elsevier; 2024:391-422. doi:<a href=\"https://doi.org/10.1016/bs.mie.2024.07.051\">10.1016/bs.mie.2024.07.051</a>","chicago":"Guillerm, Undina, Iva Sučec, and Paul Schanda. “Generation of TIM Chaperone Substrate Complexes.” In <i>Methods in Enzymology</i>, 707:391–422. Elsevier, 2024. <a href=\"https://doi.org/10.1016/bs.mie.2024.07.051\">https://doi.org/10.1016/bs.mie.2024.07.051</a>.","ieee":"U. Guillerm, I. Sučec, and P. Schanda, “Generation of TIM chaperone substrate complexes,” in <i>Methods in Enzymology</i>, vol. 707, Elsevier, 2024, pp. 391–422.","short":"U. Guillerm, I. Sučec, P. Schanda, in:, Methods in Enzymology, Elsevier, 2024, pp. 391–422.","apa":"Guillerm, U., Sučec, I., &#38; Schanda, P. (2024). Generation of TIM chaperone substrate complexes. In <i>Methods in Enzymology</i> (Vol. 707, pp. 391–422). Elsevier. <a href=\"https://doi.org/10.1016/bs.mie.2024.07.051\">https://doi.org/10.1016/bs.mie.2024.07.051</a>"}},{"publication":"Cryptology ePrint Archive","day":"02","abstract":[{"text":"A Proof of Exponentiation (PoE) allows a prover to efficiently convince a verifier that 𝑦 = 𝑥\r\n𝑒\r\nin some group of unknown order. PoEs\r\nare the basis for practical constructions of Verifiable Delay Functions (VDFs), which, in turn, are important for various higher-level\r\nprotocols in distributed computing. In applications such as distributed consensus, many PoEs are generated regularly, motivating\r\nprotocols for secure aggregation of batches of statements into a\r\nfew statements to improve the efficiency for both parties. Rotem\r\n(TCC 2021) recently presented two such generic batch PoEs.\r\nIn this work, we introduce two batch PoEs that outperform\r\nboth proposals of Rotem and we evaluate their practicality. First,\r\nwe show that the two batch PoEs of Rotem can be combined to\r\nimprove the overall efficiency by at least a factor of two. Second, we\r\nrevisit the work of Bellare, Garay, and Rabin (EUROCRYPT 1998)\r\non batch verification of digital signatures and show that, under the\r\nlow order assumption, their bucket test can be securely adapted to\r\nthe setting of groups of unknown order. The resulting batch PoE\r\nquickly outperforms the state of the art in the expected number of\r\ngroup multiplications with the growing number of instances, and it\r\ndecreases the cost of batching by an order of magnitude already for\r\nhundreds of thousands of instances. Importantly, it is the first batch\r\nPoE that significantly decreases both the proof size and complexity\r\nof verification. Our experimental evaluations show that even a nonoptimized implementation achieves such improvements, which\r\nwould match the demands of real-life systems requiring large-scale\r\nPoE processing.\r\nFinally, even though our proof techniques are conceptually similar to Rotem, we give an improved analysis of the application of the\r\nlow order assumption towards secure batching of PoE instances,\r\nresulting in a tight reduction, which is important when setting the\r\nsecurity parameter in practice.","lang":"eng"}],"citation":{"chicago":"Hoffmann, Charlotte, Pavel Hubáček, and Svetlana Ivanova. “Practical Batch Proofs of Exponentiation.” <i>Cryptology EPrint Archive</i>. International Association for Cryptologic Research, n.d.","ieee":"C. Hoffmann, P. Hubáček, and S. Ivanova, “Practical batch proofs of exponentiation,” <i>Cryptology ePrint Archive</i>. International Association for Cryptologic Research.","apa":"Hoffmann, C., Hubáček, P., &#38; Ivanova, S. (n.d.). Practical batch proofs of exponentiation. <i>Cryptology ePrint Archive</i>. International Association for Cryptologic Research.","short":"C. Hoffmann, P. Hubáček, S. Ivanova, Cryptology EPrint Archive (n.d.).","ista":"Hoffmann C, Hubáček P, Ivanova S. Practical batch proofs of exponentiation. Cryptology ePrint Archive, 2024/145.","mla":"Hoffmann, Charlotte, et al. “Practical Batch Proofs of Exponentiation.” <i>Cryptology EPrint Archive</i>, 2024/145, International Association for Cryptologic Research.","ama":"Hoffmann C, Hubáček P, Ivanova S. Practical batch proofs of exponentiation. <i>Cryptology ePrint Archive</i>."},"acknowledgement":"Pavel Hubáček was supported by the Institute of Mathematics, Czech Academy of Sciences (RVO 67985840).","language":[{"iso":"eng"}],"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Preprint","oa":1,"corr_author":"1","author":[{"first_name":"Charlotte","id":"0f78d746-dc7d-11ea-9b2f-83f92091afe7","orcid":"0000-0003-2027-5549","last_name":"Hoffmann","full_name":"Hoffmann, Charlotte"},{"last_name":"Hubáček","full_name":"Hubáček, Pavel","first_name":"Pavel"},{"last_name":"Ivanova","full_name":"Ivanova, Svetlana","first_name":"Svetlana"}],"publisher":"International Association for Cryptologic Research","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Practical batch proofs of exponentiation","date_updated":"2026-07-06T13:15:28Z","year":"2024","_id":"20701","article_number":"2024/145","external_id":{"cryptoeprintid":["2024/145"]},"date_created":"2025-11-27T10:13:38Z","publication_status":"draft","main_file_link":[{"url":"https://eprint.iacr.org/2024/145","open_access":"1"}],"cryptoeprintid":1,"department":[{"_id":"KrPi"}],"OA_type":"green","OA_place":"repository","month":"02","article_processing_charge":"No","das_tickbox":"1","related_material":{"record":[{"relation":"dissertation_contains","id":"20920","status":"public"},{"id":"20556","relation":"dissertation_contains","status":"public"}]},"type":"preprint","date_published":"2024-02-02T00:00:00Z"},{"article_number":"2408.16848","external_id":{"arxiv":["2408.16848"]},"date_created":"2025-03-20T07:48:23Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2408.16848"}],"publication_status":"draft","OA_type":"green","department":[{"_id":"MiLe"}],"month":"08","OA_place":"repository","article_processing_charge":"No","fulldoi":"https://doi.org/10.48550/arXiv.2408.16848","related_material":{"record":[{"status":"public","id":"19393","relation":"dissertation_contains"},{"relation":"later_version","id":"21009","status":"public"}]},"arxiv":1,"date_published":"2024-08-29T00:00:00Z","type":"preprint","oa":1,"author":[{"last_name":"Karle","full_name":"Karle, Volker","id":"D7C012AE-D7ED-11E9-95E8-1EC5E5697425","first_name":"Volker","orcid":"0000-0002-6963-0129"},{"first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-6990-7802","last_name":"Lemeshko","full_name":"Lemeshko, Mikhail"},{"last_name":"Bouhon","full_name":"Bouhon, Adrien","first_name":"Adrien"},{"last_name":"Slager","full_name":"Slager, Robert-Jan","first_name":"Robert-Jan"},{"full_name":"Ünal, F. Nur","last_name":"Ünal","first_name":"F. Nur"}],"status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","doi":"10.48550/arXiv.2408.16848","year":"2024","title":"Anomalous multi-gap topological phases in periodically driven quantum  rotors","date_updated":"2026-07-29T08:59:31Z","_id":"19425","citation":{"apa":"Karle, V., Lemeshko, M., Bouhon, A., Slager, R.-J., &#38; Ünal, F. N. (n.d.). Anomalous multi-gap topological phases in periodically driven quantum  rotors. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2408.16848\">https://doi.org/10.48550/arXiv.2408.16848</a>","short":"V. Karle, M. Lemeshko, A. Bouhon, R.-J. Slager, F.N. Ünal, ArXiv (n.d.).","ieee":"V. Karle, M. Lemeshko, A. Bouhon, R.-J. Slager, and F. N. Ünal, “Anomalous multi-gap topological phases in periodically driven quantum  rotors,” <i>arXiv</i>. .","chicago":"Karle, Volker, Mikhail Lemeshko, Adrien Bouhon, Robert-Jan Slager, and F. Nur Ünal. “Anomalous Multi-Gap Topological Phases in Periodically Driven Quantum  Rotors.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2408.16848\">https://doi.org/10.48550/arXiv.2408.16848</a>.","ama":"Karle V, Lemeshko M, Bouhon A, Slager R-J, Ünal FN. Anomalous multi-gap topological phases in periodically driven quantum  rotors. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2408.16848\">10.48550/arXiv.2408.16848</a>","ista":"Karle V, Lemeshko M, Bouhon A, Slager R-J, Ünal FN. Anomalous multi-gap topological phases in periodically driven quantum  rotors. arXiv, 2408.16848.","mla":"Karle, Volker, et al. “Anomalous Multi-Gap Topological Phases in Periodically Driven Quantum  Rotors.” <i>ArXiv</i>, 2408.16848, doi:<a href=\"https://doi.org/10.48550/arXiv.2408.16848\">10.48550/arXiv.2408.16848</a>."},"acknowledgement":"We thank G. M. Koutentakis, S. Wimberger, J. G. E. Harris, T. Enss and A. Ghazaryan for fruitful discussions. M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). R.-J. S. acknowledges funding from a EPSRC ERC underwrite grant EP/X025829/1, a EPSRC New Investigator Award grant EP/W00187X/1, as well as Trinity College, Cambridge. F.N.U. acknowledges support from the Marie ¨Sk lodowska-Curie programme of the European Commission [Grant No. 893915], Simons Investigator Award\r\n[Grant No. 511029] and Trinity College Cambridge.","language":[{"iso":"eng"}],"oa_version":"Preprint","publication":"arXiv","ec_funded":1,"day":"29","abstract":[{"text":"We demonstrate that periodically driven quantum rotors provide a promising and broadly applicable platform to implement multi-gap topological phases, where groups of bands can acquire topological invariants due to non-Abelian braiding of band degeneracies. By adiabatically varying the periodic kicks to the rotor we find nodal-line braiding, which causes sign flips of topological charges of band nodes and can prevent them from annihilating, indicated by non-zero values of the %non-Abelian patch Euler class. In particular, we report\r\non the emergence of an anomalous Dirac string phase arising in the strongly driven regime, a truly out-of-equilibrium phase of the quantum rotor. This phase emanates from braiding processes involving all (quasienergy) gaps and manifests itself with edge states at zero angular momentum. Our results reveal direct applications in state-of-the-art experiments of quantum rotors, such as linear molecules driven by periodic far-off-resonant laser pulses or artificial\r\nquantum rotors in optical lattices, whose extensive versatility offers precise modification and observation of novel non-Abelian topological properties. ","lang":"eng"}],"project":[{"_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","name":"Angulon: physics and applications of a new quasiparticle","grant_number":"801770"}]},{"article_type":"original","day":"01","scopus_import":"1","volume":2024,"supplementarymaterial":"no","abstract":[{"text":"This paper corrects an error in an earlier work of the author.","lang":"eng"}],"researchdata_availability":"no","page":"10165-10168","publication":"International Mathematics Research Notices","ddc":["510"],"issue":"13","language":[{"iso":"eng"}],"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Published Version","publication_identifier":{"eissn":["1687-0247"],"issn":["1073-7928"]},"citation":{"chicago":"Browning, Timothy D. “The Polynomial Sieve and Equal Sums of like Polynomials.” <i>International Mathematics Research Notices</i>. Oxford University Press, 2024. <a href=\"https://doi.org/10.1093/imrn/rnae066\">https://doi.org/10.1093/imrn/rnae066</a>.","ieee":"T. D. Browning, “The polynomial sieve and equal sums of like polynomials,” <i>International Mathematics Research Notices</i>, vol. 2024, no. 13. Oxford University Press, pp. 10165–10168, 2024.","short":"T.D. Browning, International Mathematics Research Notices 2024 (2024) 10165–10168.","apa":"Browning, T. D. (2024). The polynomial sieve and equal sums of like polynomials. <i>International Mathematics Research Notices</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/imrn/rnae066\">https://doi.org/10.1093/imrn/rnae066</a>","mla":"Browning, Timothy D. “The Polynomial Sieve and Equal Sums of like Polynomials.” <i>International Mathematics Research Notices</i>, vol. 2024, no. 13, Oxford University Press, 2024, pp. 10165–68, doi:<a href=\"https://doi.org/10.1093/imrn/rnae066\">10.1093/imrn/rnae066</a>.","ista":"Browning TD. 2024. The polynomial sieve and equal sums of like polynomials. International Mathematics Research Notices. 2024(13), 10165–10168.","ama":"Browning TD. The polynomial sieve and equal sums of like polynomials. <i>International Mathematics Research Notices</i>. 2024;2024(13):10165-10168. doi:<a href=\"https://doi.org/10.1093/imrn/rnae066\">10.1093/imrn/rnae066</a>"},"file_date_updated":"2025-02-18T07:56:36Z","file":[{"date_updated":"2025-02-18T07:56:36Z","success":1,"access_level":"open_access","creator":"dernst","file_id":"19052","relation":"main_file","file_size":205750,"date_created":"2025-02-18T07:56:36Z","checksum":"b625b8adf018d2a97591813c1fc17b96","file_name":"2024_IMRN_Browning.pdf","content_type":"application/pdf"}],"has_accepted_license":"1","quality_controlled":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","status":"public","doi":"10.1093/imrn/rnae066","title":"The polynomial sieve and equal sums of like polynomials","year":"2024","date_updated":"2026-07-29T09:59:57Z","_id":"19051","isi":1,"oa":1,"author":[{"last_name":"Browning","full_name":"Browning, Timothy D","id":"35827D50-F248-11E8-B48F-1D18A9856A87","first_name":"Timothy D","orcid":"0000-0002-8314-0177"}],"corr_author":"1","publisher":"Oxford University Press","intvolume":"      2024","fulldoi":"https://doi.org/10.1093/imrn/rnae066","das_tickbox":"0","related_material":{"record":[{"status":"public","id":"254","relation":"earlier_version"}]},"date_published":"2024-07-01T00:00:00Z","type":"journal_article","external_id":{"isi":["001196957300001"]},"date_created":"2025-02-18T07:15:50Z","publication_status":"published","department":[{"_id":"TiBr"}],"OA_type":"hybrid","article_processing_charge":"Yes (via OA deal)","month":"07","OA_place":"publisher"},{"day":"12","abstract":[{"text":"Farkas established that a system of linear inequalities has a solution if and only if we cannot obtain a contradiction by taking a linear combination of the inequalities. We state and formally prove several Farkas-like theorems over linearly ordered fields in Lean 4. Furthermore, we extend duality theory to the case when some coefficients are allowed to take \"infinite values\".","lang":"eng"}],"publication":"arXiv","oa_version":"Preprint","acknowledgement":"We would like to thank David Bartl and Jasmin Blanchette for frequent consultations. We would also like to express gratitude to Andrew Yang for the proof of Finset.univ sum of zero when not and to Henrik B¨oving for a help with generalization from extended rationals to extended linearly ordered fields. We would also like to acknowledge Antoine Chambert-Loir, Apurva Nakade, Ya¨el Dillies, Richard Copley, Edward van de Meent, Markus Himmel, Mario Carneiro, and Kevin Buzzard.","language":[{"iso":"eng"}],"keyword":["Farkas lemma","linear programming","extended reals","calculus of inductive constructions"],"citation":{"ama":"Dvorak M, Kolmogorov V. Duality theory in linear optimization and its extensions -- formally  verified. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2409.08119\">10.48550/arXiv.2409.08119</a>","mla":"Dvorak, Martin, and Vladimir Kolmogorov. “Duality Theory in Linear Optimization and Its Extensions -- Formally  Verified.” <i>ArXiv</i>, 2409.08119, doi:<a href=\"https://doi.org/10.48550/arXiv.2409.08119\">10.48550/arXiv.2409.08119</a>.","ista":"Dvorak M, Kolmogorov V. Duality theory in linear optimization and its extensions -- formally  verified. arXiv, 2409.08119.","short":"M. Dvorak, V. Kolmogorov, ArXiv (n.d.).","apa":"Dvorak, M., &#38; Kolmogorov, V. (n.d.). Duality theory in linear optimization and its extensions -- formally  verified. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2409.08119\">https://doi.org/10.48550/arXiv.2409.08119</a>","chicago":"Dvorak, Martin, and Vladimir Kolmogorov. “Duality Theory in Linear Optimization and Its Extensions -- Formally  Verified.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2409.08119\">https://doi.org/10.48550/arXiv.2409.08119</a>.","ieee":"M. Dvorak and V. Kolmogorov, “Duality theory in linear optimization and its extensions -- formally  verified,” <i>arXiv</i>. ."},"_id":"20071","status":"public","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","doi":"10.48550/arXiv.2409.08119","date_updated":"2026-07-29T12:56:51Z","year":"2024","title":"Duality theory in linear optimization and its extensions -- formally  verified","corr_author":"1","author":[{"last_name":"Dvorak","full_name":"Dvorak, Martin","first_name":"Martin","id":"40ED02A8-C8B4-11E9-A9C0-453BE6697425","orcid":"0000-0001-5293-214X"},{"first_name":"Vladimir","id":"3D50B0BA-F248-11E8-B48F-1D18A9856A87","full_name":"Kolmogorov, Vladimir","last_name":"Kolmogorov"}],"oa":1,"related_material":{"link":[{"url":"https://github.com/madvorak/duality/tree/v3.2","description":"full version of all definitions, statement, and proofs","relation":"software"}],"record":[{"id":"22607","relation":"later_version","status":"public"},{"id":"21393","relation":"dissertation_contains","status":"public"}]},"arxiv":1,"type":"preprint","date_published":"2024-09-12T00:00:00Z","fulldoi":"https://doi.org/10.48550/arXiv.2409.08119","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2409.08119","open_access":"1"}],"publication_status":"draft","department":[{"_id":"GradSch"},{"_id":"VlKo"}],"OA_type":"green","OA_place":"repository","article_processing_charge":"No","month":"09","article_number":"2409.08119","external_id":{"arxiv":["2409.08119"]},"date_created":"2025-07-23T11:21:52Z"},{"ec_funded":1,"publication":"arXiv","project":[{"call_identifier":"H2020","grant_number":"101020331","name":"Random matrices beyond Wigner-Dyson-Mehta","_id":"62796744-2b32-11ec-9570-940b20777f1d"}],"day":"17","abstract":[{"lang":"eng","text":"We prove the Eigenstate Thermalisation Hypothesis for Wigner matrices\r\nuniformly in the entire spectrum, in particular near the spectral edges, with a\r\nbound on the fluctuation that is optimal for any observable. This complements\r\nearlier works of Cipolloni et. al. (Comm. Math. Phys. 388, 2021; Forum Math.,\r\nSigma 10, 2022) and Benigni et. al. (Comm. Math. Phys. 391, 2022; arXiv:\r\n2303.11142) that were restricted either to the bulk of the spectrum or to\r\nspecial observables. As a main ingredient, we prove a new multi-resolvent local\r\nlaw that optimally accounts for the edge scaling."}],"citation":{"ieee":"G. Cipolloni, L. Erdös, and S. J. Henheik, “Eigenstate thermalisation at the edge for Wigner matrices,” <i>arXiv</i>. .","chicago":"Cipolloni, Giorgio, László Erdös, and Sven Joscha Henheik. “Eigenstate Thermalisation at the Edge for Wigner Matrices.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2309.05488\">https://doi.org/10.48550/arXiv.2309.05488</a>.","apa":"Cipolloni, G., Erdös, L., &#38; Henheik, S. J. (n.d.). Eigenstate thermalisation at the edge for Wigner matrices. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2309.05488\">https://doi.org/10.48550/arXiv.2309.05488</a>","short":"G. Cipolloni, L. Erdös, S.J. Henheik, ArXiv (n.d.).","ista":"Cipolloni G, Erdös L, Henheik SJ. Eigenstate thermalisation at the edge for Wigner matrices. arXiv, <a href=\"https://doi.org/10.48550/arXiv.2309.05488\">10.48550/arXiv.2309.05488</a>.","mla":"Cipolloni, Giorgio, et al. “Eigenstate Thermalisation at the Edge for Wigner Matrices.” <i>ArXiv</i>, doi:<a href=\"https://doi.org/10.48550/arXiv.2309.05488\">10.48550/arXiv.2309.05488</a>.","ama":"Cipolloni G, Erdös L, Henheik SJ. Eigenstate thermalisation at the edge for Wigner matrices. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2309.05488\">10.48550/arXiv.2309.05488</a>"},"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Preprint","acknowledgement":"Supported by ERC Advanced Grant “RMTBeyond” No. 101020331.","language":[{"iso":"eng"}],"corr_author":"1","oa":1,"author":[{"full_name":"Cipolloni, Giorgio","last_name":"Cipolloni","orcid":"0000-0002-4901-7992","first_name":"Giorgio","id":"42198EFA-F248-11E8-B48F-1D18A9856A87"},{"first_name":"László","id":"4DBD5372-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5366-9603","last_name":"Erdös","full_name":"Erdös, László"},{"full_name":"Henheik, Sven Joscha","last_name":"Henheik","orcid":"0000-0003-1106-327X","first_name":"Sven Joscha","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb"}],"_id":"19545","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","status":"public","doi":"10.48550/arXiv.2309.05488","title":"Eigenstate thermalisation at the edge for Wigner matrices","date_updated":"2026-07-29T13:18:16Z","year":"2024","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2309.05488"}],"publication_status":"draft","department":[{"_id":"LaEr"}],"OA_place":"repository","article_processing_charge":"No","month":"12","external_id":{"arxiv":["2309.05488"]},"date_created":"2025-04-11T08:19:22Z","related_material":{"record":[{"id":"19540","relation":"dissertation_contains","status":"public"}]},"arxiv":1,"type":"preprint","date_published":"2024-12-17T00:00:00Z","fulldoi":"https://doi.org/10.48550/arXiv.2309.05488"},{"publication":"arXiv","oa":1,"author":[{"last_name":"Henheik","full_name":"Henheik, Sven Joscha","first_name":"Sven Joscha","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","orcid":"0000-0003-1106-327X"},{"first_name":"Edwin","last_name":"Langmann","full_name":"Langmann, Edwin"},{"id":"e1a2682f-dc8d-11ea-abe3-81da9ac728f1","first_name":"Asbjørn Bækgaard","orcid":"0000-0003-4476-2288","last_name":"Lauritsen","full_name":"Lauritsen, Asbjørn Bækgaard"}],"corr_author":"1","abstract":[{"text":"We introduce a multi-band BCS free energy functional and prove that for a\r\nmulti-band superconductor the effect of inter-band coupling can only increase\r\nthe critical temperature, irrespective of its attractive or repulsive nature\r\nand its strength. Further, for weak coupling and weaker inter-band coupling, we\r\nprove that the dependence of the increase in critical temperature on the\r\ninter-band coupling is (1) linear, if there are two or more equally strongly\r\nsuperconducting bands, or (2) quadratic, if there is only one dominating band.","lang":"eng"}],"title":"Multi-band superconductors have enhanced critical temperatures","date_updated":"2026-07-29T13:18:16Z","year":"2024","doi":"10.48550/arXiv.2409.17297","status":"public","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","day":"21","_id":"19550","citation":{"chicago":"Henheik, Sven Joscha, Edwin Langmann, and Asbjørn Bækgaard Lauritsen. “Multi-Band Superconductors Have Enhanced Critical Temperatures.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2409.17297\">https://doi.org/10.48550/arXiv.2409.17297</a>.","ieee":"S. J. Henheik, E. Langmann, and A. B. Lauritsen, “Multi-band superconductors have enhanced critical temperatures,” <i>arXiv</i>. .","apa":"Henheik, S. J., Langmann, E., &#38; Lauritsen, A. B. (n.d.). Multi-band superconductors have enhanced critical temperatures. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2409.17297\">https://doi.org/10.48550/arXiv.2409.17297</a>","short":"S.J. Henheik, E. Langmann, A.B. Lauritsen, ArXiv (n.d.).","ista":"Henheik SJ, Langmann E, Lauritsen AB. Multi-band superconductors have enhanced critical temperatures. arXiv, <a href=\"https://doi.org/10.48550/arXiv.2409.17297\">10.48550/arXiv.2409.17297</a>.","mla":"Henheik, Sven Joscha, et al. “Multi-Band Superconductors Have Enhanced Critical Temperatures.” <i>ArXiv</i>, doi:<a href=\"https://doi.org/10.48550/arXiv.2409.17297\">10.48550/arXiv.2409.17297</a>.","ama":"Henheik SJ, Langmann E, Lauritsen AB. Multi-band superconductors have enhanced critical temperatures. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2409.17297\">10.48550/arXiv.2409.17297</a>"},"date_created":"2025-04-11T11:43:58Z","external_id":{"arxiv":["2409.17297"]},"OA_place":"repository","article_processing_charge":"No","month":"10","department":[{"_id":"LaEr"},{"_id":"RoSe"}],"publication_status":"draft","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2409.17297"}],"language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.48550/arXiv.2409.17297","oa_version":"Preprint","date_published":"2024-10-21T00:00:00Z","tmp":{"short":"CC BY (4.0)","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"},"type":"preprint","arxiv":1,"related_material":{"record":[{"status":"public","relation":"later_version","id":"22290"},{"status":"public","id":"19540","relation":"dissertation_contains"}]}},{"oa_version":"Preprint","acknowledgement":"Supported by the ERC Advanced Grant \"RMTBeyond\"\r\nNo. 101020331.","language":[{"iso":"eng"}],"citation":{"ama":"Erdös L, Henheik SJ, Riabov V. Cusp universality for correlated random matrices. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2410.06813\">10.48550/arXiv.2410.06813</a>","mla":"Erdös, László, et al. “Cusp Universality for Correlated Random Matrices.” <i>ArXiv</i>, doi:<a href=\"https://doi.org/10.48550/arXiv.2410.06813\">10.48550/arXiv.2410.06813</a>.","ista":"Erdös L, Henheik SJ, Riabov V. Cusp universality for correlated random matrices. arXiv, <a href=\"https://doi.org/10.48550/arXiv.2410.06813\">10.48550/arXiv.2410.06813</a>.","short":"L. Erdös, S.J. Henheik, V. Riabov, ArXiv (n.d.).","apa":"Erdös, L., Henheik, S. J., &#38; Riabov, V. (n.d.). Cusp universality for correlated random matrices. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2410.06813\">https://doi.org/10.48550/arXiv.2410.06813</a>","chicago":"Erdös, László, Sven Joscha Henheik, and Volodymyr Riabov. “Cusp Universality for Correlated Random Matrices.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2410.06813\">https://doi.org/10.48550/arXiv.2410.06813</a>.","ieee":"L. Erdös, S. J. Henheik, and V. Riabov, “Cusp universality for correlated random matrices,” <i>arXiv</i>. ."},"project":[{"call_identifier":"H2020","name":"Random matrices beyond Wigner-Dyson-Mehta","grant_number":"101020331","_id":"62796744-2b32-11ec-9570-940b20777f1d"}],"day":"03","abstract":[{"text":"For correlated real symmetric or complex Hermitian random matrices, we prove\r\nthat the local eigenvalue statistics at any cusp singularity are universal.\r\nSince the density of states typically exhibits only square root edge or cubic\r\nroot cusp singularities, our result completes the proof of the\r\nWigner-Dyson-Mehta universality conjecture in all spectral regimes for a very\r\ngeneral class of random matrices. Previously only the bulk and the edge\r\nuniversality were established in this generality [arXiv:1804.07744], while cusp\r\nuniversality was proven only for Wigner-type matrices with independent entries\r\n[arXiv:1809.03971, arXiv:1811.04055]. As our main technical input, we prove an\r\noptimal local law at the cusp using the Zigzag strategy, a recursive tandem of\r\nthe characteristic flow method and a Green function comparison argument.\r\nMoreover, our proof of the optimal local law holds uniformly in the spectrum,\r\nthus also re-establishing universality of the local eigenvalue statistics in\r\nthe previously studied bulk [arXiv:1705.10661] and edge [arXiv:1804.07744]\r\nregimes.","lang":"eng"}],"ec_funded":1,"publication":"arXiv","arxiv":1,"related_material":{"record":[{"status":"public","id":"20322","relation":"later_version"},{"relation":"dissertation_contains","id":"20575","status":"public"},{"status":"public","id":"19540","relation":"dissertation_contains"}]},"type":"preprint","date_published":"2024-11-03T00:00:00Z","fulldoi":"https://doi.org/10.48550/arXiv.2410.06813","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2410.06813","open_access":"1"}],"publication_status":"draft","month":"11","OA_place":"repository","article_processing_charge":"No","department":[{"_id":"LaEr"}],"external_id":{"arxiv":["2410.06813"]},"date_created":"2025-04-11T08:48:21Z","_id":"19547","status":"public","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","year":"2024","date_updated":"2026-07-29T13:18:17Z","title":"Cusp universality for correlated random matrices","doi":"10.48550/arXiv.2410.06813","oa":1,"author":[{"id":"4DBD5372-F248-11E8-B48F-1D18A9856A87","first_name":"László","orcid":"0000-0001-5366-9603","last_name":"Erdös","full_name":"Erdös, László"},{"id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","first_name":"Sven Joscha","orcid":"0000-0003-1106-327X","last_name":"Henheik","full_name":"Henheik, Sven Joscha"},{"last_name":"Riabov","full_name":"Riabov, Volodymyr","first_name":"Volodymyr","id":"1949f904-edfb-11eb-afb5-e2dfddabb93b"}],"corr_author":"1"},{"author":[{"first_name":"Sven Joscha","id":"31d731d7-d235-11ea-ad11-b50331c8d7fb","orcid":"0000-0003-1106-327X","last_name":"Henheik","full_name":"Henheik, Sven Joscha"},{"first_name":"Tom","last_name":"Wessel","full_name":"Wessel, Tom"}],"corr_author":"1","oa":1,"publication":"arXiv","status":"public","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","day":"14","abstract":[{"lang":"eng","text":"We introduce a notion of a \\emph{local gap} for interacting many-body quantum lattice systems and prove the validity of response theory and Kubo's formula for localized perturbations in such settings.\r\nOn a high level, our result shows that the usual spectral gap condition, concerning the system as a whole, is not a necessary condition for understanding local properties of the system.\r\nMore precisely, we say that an equilibrium state ρ0 of a Hamiltonian H0 is locally gapped in Λgap⊂Λ, whenever the Liouvillian −i[H0,⋅] is almost invertible on local observables supported in Λgap when tested in ρ0.\r\nTo put this into context, we provide other alternative notions of a local gap and discuss their relations.\r\nThe validity of response theory is based on the construction of \\emph{non-equilibrium almost stationary states} (NEASSs).\r\nBy controlling locality properties of the NEASS construction, we show that response theory holds to any order, whenever the perturbation \\(\\epsilon V\\) acts in a region which is further than |logϵ| away from the non-gapped region Λ∖Λgap."}],"year":"2024","title":"Response theory for locally gapped systems","date_updated":"2026-07-29T13:18:16Z","doi":"10.48550/arXiv.2410.10809","_id":"19551","external_id":{"arxiv":["2410.10809"]},"citation":{"ama":"Henheik SJ, Wessel T. Response theory for locally gapped systems. <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2410.10809\">10.48550/arXiv.2410.10809</a>","mla":"Henheik, Sven Joscha, and Tom Wessel. “Response Theory for Locally Gapped Systems.” <i>ArXiv</i>, doi:<a href=\"https://doi.org/10.48550/arXiv.2410.10809\">10.48550/arXiv.2410.10809</a>.","ista":"Henheik SJ, Wessel T. Response theory for locally gapped systems. arXiv, <a href=\"https://doi.org/10.48550/arXiv.2410.10809\">10.48550/arXiv.2410.10809</a>.","short":"S.J. Henheik, T. Wessel, ArXiv (n.d.).","apa":"Henheik, S. J., &#38; Wessel, T. (n.d.). Response theory for locally gapped systems. <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2410.10809\">https://doi.org/10.48550/arXiv.2410.10809</a>","ieee":"S. J. Henheik and T. Wessel, “Response theory for locally gapped systems,” <i>arXiv</i>. .","chicago":"Henheik, Sven Joscha, and Tom Wessel. “Response Theory for Locally Gapped Systems.” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2410.10809\">https://doi.org/10.48550/arXiv.2410.10809</a>."},"date_created":"2025-04-11T11:54:56Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2410.10809"}],"publication_status":"draft","month":"10","OA_place":"repository","article_processing_charge":"No","department":[{"_id":"LaEr"}],"fulldoi":"https://doi.org/10.48550/arXiv.2410.10809","language":[{"iso":"eng"}],"arxiv":1,"related_material":{"record":[{"id":"19540","relation":"dissertation_contains","status":"public"}]},"oa_version":"Preprint","tmp":{"short":"CC BY (4.0)","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"},"type":"preprint","date_published":"2024-10-14T00:00:00Z"},{"author":[{"first_name":"Haikuan","full_name":"Dong, Haikuan","last_name":"Dong"},{"last_name":"Shi","full_name":"Shi, Yongbo","first_name":"Yongbo"},{"first_name":"Penghua","last_name":"Ying","full_name":"Ying, Penghua"},{"full_name":"Xu, Ke","last_name":"Xu","first_name":"Ke"},{"first_name":"Ting","full_name":"Liang, Ting","last_name":"Liang"},{"last_name":"Wang","full_name":"Wang, Yanzhou","first_name":"Yanzhou"},{"last_name":"Zeng","full_name":"Zeng, Zezhu","first_name":"Zezhu","id":"54a2c730-803f-11ed-ab7e-95b29d2680e7","orcid":"0000-0001-5126-4928"},{"last_name":"Wu","full_name":"Wu, Xin","first_name":"Xin"},{"first_name":"Wenjiang","last_name":"Zhou","full_name":"Zhou, Wenjiang"},{"full_name":"Xiong, Shiyun","last_name":"Xiong","first_name":"Shiyun"},{"first_name":"Shunda","full_name":"Chen, Shunda","last_name":"Chen"},{"full_name":"Fan, Zheyong","last_name":"Fan","first_name":"Zheyong"}],"oa":1,"publisher":"AIP Publishing","intvolume":"       135","isi":1,"_id":"15359","has_accepted_license":"1","status":"public","quality_controlled":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","doi":"10.1063/5.0200833","title":"Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials","date_updated":"2026-08-07T10:35:13Z","year":"2024","publication_status":"published","department":[{"_id":"BiCh"}],"month":"04","article_processing_charge":"Yes (in subscription journal)","article_number":"161101","external_id":{"arxiv":["2401.16249"],"isi":["001215967400009"]},"dataavailabilitystatement":"All the training and test datasets and the trained NEP models for crystalline silicon are freely available at https://gitlab.com/brucefan1983/nep-data. The training datasets, trained NEP, DP, and MTP models for graphene and MD input files for reproducing Fig. 3 are freely available at https://github.com/hityingph/supporting-info/tree/main/Dong_GPUMD_Tutorial_2024.","date_created":"2024-05-05T22:01:03Z","related_material":{"link":[{"relation":"software","url":"https://gitlab.com/brucefan1983/nep-data"}]},"arxiv":1,"date_published":"2024-04-28T00:00:00Z","type":"journal_article","fulldoi":"https://doi.org/10.1063/5.0200833","das_tickbox":"1","ec_funded":1,"ddc":["530"],"publication":"Journal of Applied Physics","project":[{"_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","grant_number":"101034413","name":"IST-BRIDGE: International postdoctoral program","call_identifier":"H2020"}],"researchdata_availability":"no","article_type":"review","day":"28","scopus_import":"1","supplementarymaterial":"no","volume":135,"abstract":[{"text":"Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate and efficient interatomic potentials. Recently, machine-learned potentials (MLPs) have shown great promise in providing the required accuracy for a broad range of materials. In this mini-review and tutorial, we delve into the fundamentals of heat transport, explore pertinent MD simulation methods, and survey the applications of MLPs in MD simulations of heat transport. Furthermore, we provide a step-by-step tutorial on developing MLPs for highly efficient and predictive heat transport simulations, utilizing the neuroevolution potentials as implemented in the GPUMD package. Our aim with this mini-review and tutorial is to empower researchers with valuable insights into cutting-edge methodologies that can significantly enhance the accuracy and efficiency of MD simulations for heat transport studies.","lang":"eng"}],"file_date_updated":"2024-05-13T08:07:44Z","file":[{"content_type":"application/pdf","date_created":"2024-05-13T08:07:44Z","file_name":"2024_JourApplPhysics_Dong.pdf","checksum":"4d6abb3ebe058ce8eebf4fc7e9cdda0d","creator":"dernst","file_size":3240613,"relation":"main_file","file_id":"15382","date_updated":"2024-05-13T08:07:44Z","access_level":"open_access","success":1}],"publication_identifier":{"issn":["0021-8979"],"eissn":["1089-7550"]},"citation":{"mla":"Dong, Haikuan, et al. “Molecular Dynamics Simulations of Heat Transport Using Machine-Learned Potentials: A Mini-Review and Tutorial on GPUMD with Neuroevolution Potentials.” <i>Journal of Applied Physics</i>, vol. 135, no. 16, 161101, AIP Publishing, 2024, doi:<a href=\"https://doi.org/10.1063/5.0200833\">10.1063/5.0200833</a>.","ista":"Dong H, Shi Y, Ying P, Xu K, Liang T, Wang Y, Zeng Z, Wu X, Zhou W, Xiong S, Chen S, Fan Z. 2024. Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials. Journal of Applied Physics. 135(16), 161101.","ama":"Dong H, Shi Y, Ying P, et al. Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials. <i>Journal of Applied Physics</i>. 2024;135(16). doi:<a href=\"https://doi.org/10.1063/5.0200833\">10.1063/5.0200833</a>","ieee":"H. Dong <i>et al.</i>, “Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials,” <i>Journal of Applied Physics</i>, vol. 135, no. 16. AIP Publishing, 2024.","chicago":"Dong, Haikuan, Yongbo Shi, Penghua Ying, Ke Xu, Ting Liang, Yanzhou Wang, Zezhu Zeng, et al. “Molecular Dynamics Simulations of Heat Transport Using Machine-Learned Potentials: A Mini-Review and Tutorial on GPUMD with Neuroevolution Potentials.” <i>Journal of Applied Physics</i>. AIP Publishing, 2024. <a href=\"https://doi.org/10.1063/5.0200833\">https://doi.org/10.1063/5.0200833</a>.","short":"H. Dong, Y. Shi, P. Ying, K. Xu, T. Liang, Y. Wang, Z. Zeng, X. Wu, W. Zhou, S. Xiong, S. Chen, Z. Fan, Journal of Applied Physics 135 (2024).","apa":"Dong, H., Shi, Y., Ying, P., Xu, K., Liang, T., Wang, Y., … Fan, Z. (2024). Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials. <i>Journal of Applied Physics</i>. AIP Publishing. <a href=\"https://doi.org/10.1063/5.0200833\">https://doi.org/10.1063/5.0200833</a>"},"tmp":{"short":"CC BY (4.0)","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"},"oa_version":"Preprint","issue":"16","acknowledgement":"H.D. is supported by the Science Foundation from the Education Department of Liaoning Province (No. JYTMS20231613) and the Doctoral start-up Fund of Bohai University (No. 0523bs008). P.Y. is supported by the Israel Academy of Sciences and Humanities & Council for Higher Education Excellence Fellowship Program for International Postdoctoral Researchers. K.X. and T.L. acknowledge support from the National Key R&D Project from Ministry of Science and Technology of China (No. 2022YFA1203100), the Research Grants Council of Hong Kong (No. AoE/P-701/20), and RGC GRF (No. 14220022). Z.Z. acknowledges the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 101034413. S.X. acknowledges financial support from the National Natural Science Foundation of China (NNSFC) (Grant No. 12174276).","language":[{"iso":"eng"}]},{"language":[{"iso":"eng"}],"issue":"3","acknowledgement":"B.C. thanks Alessandro Laio, who introduced the phenomenon of azeotrope and suggested using the S0 method to compute it. B.C. and X.W. thank Felix Wodaczek for the insightful comments and suggestions on the manuscript. B.C. and X.W. acknowledge 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).","oa_version":"Preprint","citation":{"ama":"Wang X, Cheng B. Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures. <i>Journal of Chemical Physics</i>. 2024;161(3). doi:<a href=\"https://doi.org/10.1063/5.0217232\">10.1063/5.0217232</a>","mla":"Wang, Xiaoyu, and Bingqing Cheng. “Integrating Molecular Dynamics Simulations and Experimental Data for Azeotrope Predictions in Binary Mixtures.” <i>Journal of Chemical Physics</i>, vol. 161, no. 3, 034111, AIP Publishing, 2024, doi:<a href=\"https://doi.org/10.1063/5.0217232\">10.1063/5.0217232</a>.","ista":"Wang X, Cheng B. 2024. Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures. Journal of Chemical Physics. 161(3), 034111.","short":"X. Wang, B. Cheng, Journal of Chemical Physics 161 (2024).","apa":"Wang, X., &#38; Cheng, B. (2024). Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures. <i>Journal of Chemical Physics</i>. AIP Publishing. <a href=\"https://doi.org/10.1063/5.0217232\">https://doi.org/10.1063/5.0217232</a>","chicago":"Wang, Xiaoyu, and Bingqing Cheng. “Integrating Molecular Dynamics Simulations and Experimental Data for Azeotrope Predictions in Binary Mixtures.” <i>Journal of Chemical Physics</i>. AIP Publishing, 2024. <a href=\"https://doi.org/10.1063/5.0217232\">https://doi.org/10.1063/5.0217232</a>.","ieee":"X. Wang and B. Cheng, “Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures,” <i>Journal of Chemical Physics</i>, vol. 161, no. 3. AIP Publishing, 2024."},"publication_identifier":{"eissn":["1089-7690"],"issn":["0021-9606"]},"supplementarymaterial":"no","volume":161,"abstract":[{"lang":"eng","text":"An azeotrope is a constant boiling point mixture, and its behavior is important for fluid separation processes. Predicting azeotropes from atomistic simulations is difficult due to the complexities and convergence problems of Monte Carlo and free-energy perturbation techniques. Here, we present a methodology for predicting the azeotropes of binary mixtures, which computes the compositional dependence of chemical potentials from molecular dynamics simulations using the S0 method and employs experimental boiling point and vaporization enthalpy data. Using this methodology, we reproduce the azeotropes, or lack thereof, in five case studies, including ethanol/water, ethanol/isooctane, methanol/water, hydrazine/water, and acetone/chloroform mixtures. We find that it is crucial to use the experimental boiling point and vaporization enthalpy for reliable azeotrope predictions, as empirical force fields are not accurate enough for these quantities. Finally, we use regular solution models to rationalize the azeotropes and reveal that they tend to form when the mixture components have similar boiling points and strong interactions."}],"article_type":"original","day":"14","scopus_import":"1","researchdata_availability":"no","publication":"Journal of Chemical Physics","das_tickbox":"1","fulldoi":"https://doi.org/10.1063/5.0217232","date_published":"2024-07-14T00:00:00Z","type":"journal_article","related_material":{"link":[{"url":"https://github.com/Xiaoyu-Wang-Stone/Azeotrope_S0","relation":"software"}]},"arxiv":1,"pmid":1,"date_created":"2024-07-21T22:01:00Z","article_number":"034111","external_id":{"pmid":["39007379"],"arxiv":["2405.02216"],"isi":["001281819100016"]},"dataavailabilitystatement":"All simulation setups, analysis scripts, and raw data in the study are available in the SI repository https://github.com/Xiaoyu-Wang-Stone/Azeotrope_S0.","department":[{"_id":"BiCh"},{"_id":"GradSch"}],"month":"07","article_processing_charge":"No","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2405.02216","open_access":"1"}],"publication_status":"published","doi":"10.1063/5.0217232","title":"Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures","year":"2024","date_updated":"2026-08-07T10:38:59Z","status":"public","quality_controlled":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","_id":"17278","isi":1,"intvolume":"       161","publisher":"AIP Publishing","author":[{"first_name":"Xiaoyu","id":"8dff9c62-32b0-11ee-9fa8-fc73025e10f3","full_name":"Wang, Xiaoyu","last_name":"Wang"},{"last_name":"Cheng","full_name":"Cheng, Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","first_name":"Bingqing","orcid":"0000-0002-3584-9632"}],"oa":1,"corr_author":"1"},{"doi":"10.25625/4FLFH8","title":"Data and code for: Integral points on cubic surfaces: heuristics and numerics","year":"2024","abstract":[{"text":"Lists of nontrivial integral points on some (families of) cubic surfaces. (2024-07-18)","lang":"eng"}],"date_updated":"2026-08-12T12:15:33Z","day":"22","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","has_accepted_license":"1","_id":"22234","contributor":[{"last_name":"Wilsch","first_name":"Florian Alexander","id":"560601DA-8D36-11E9-A136-7AC1E5697425","orcid":"0000-0001-7302-8256"}],"ddc":["500"],"publisher":"Göttingen Research Online Data","oa":1,"author":[{"last_name":"Browning","full_name":"Browning, Timothy D","first_name":"Timothy D","id":"35827D50-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-8314-0177"},{"first_name":"Andrew","full_name":"Sutherland, Andrew","last_name":"Sutherland"}],"corr_author":"1","fulldoi":"https://doi.org/10.25625/4FLFH8","date_published":"2024-07-22T00:00:00Z","tmp":{"short":"CC BY (4.0)","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"},"type":"research_data_reference","oa_version":"Published Version","related_material":{"record":[{"relation":"used_in_publication","id":"20249","status":"public"}]},"citation":{"short":"T.D. Browning, A. Sutherland, (2024).","apa":"Browning, T. D., &#38; Sutherland, A. (2024). Data and code for: Integral points on cubic surfaces: heuristics and numerics. Göttingen Research Online Data. <a href=\"https://doi.org/10.25625/4FLFH8\">https://doi.org/10.25625/4FLFH8</a>","ieee":"T. D. Browning and A. Sutherland, “Data and code for: Integral points on cubic surfaces: heuristics and numerics.” Göttingen Research Online Data, 2024.","chicago":"Browning, Timothy D, and Andrew Sutherland. “Data and Code for: Integral Points on Cubic Surfaces: Heuristics and Numerics.” Göttingen Research Online Data, 2024. <a href=\"https://doi.org/10.25625/4FLFH8\">https://doi.org/10.25625/4FLFH8</a>.","ama":"Browning TD, Sutherland A. Data and code for: Integral points on cubic surfaces: heuristics and numerics. 2024. doi:<a href=\"https://doi.org/10.25625/4FLFH8\">10.25625/4FLFH8</a>","mla":"Browning, Timothy D., and Andrew Sutherland. <i>Data and Code for: Integral Points on Cubic Surfaces: Heuristics and Numerics</i>. Göttingen Research Online Data, 2024, doi:<a href=\"https://doi.org/10.25625/4FLFH8\">10.25625/4FLFH8</a>.","ista":"Browning TD, Sutherland A. 2024. Data and code for: Integral points on cubic surfaces: heuristics and numerics, Göttingen Research Online Data, <a href=\"https://doi.org/10.25625/4FLFH8\">10.25625/4FLFH8</a>."},"date_created":"2026-07-02T10:38:53Z","department":[{"_id":"TiBr"}],"OA_type":"green","OA_place":"repository","month":"07","article_processing_charge":"No","main_file_link":[{"url":"https://doi.org/10.25625/4FLFH8","open_access":"1"}]},{"abstract":[{"lang":"eng","text":"Instruction-tuned Large Language Models (LLMs) show impressive results in numerous practical applications, but they lack essential safety features that are common in other areas of computer science, particularly an explicit separation of instructions and data. This makes them vulnerable to manipulations such as indirect prompt injections and generally unsuitable for safety-critical tasks. Surprisingly, there is currently no established definition or benchmark to quantify this phenomenon. In this work, we close this gap by introducing a formal measure for instruction-data separation and an empirical variant that is calculable from a model's outputs. We also present a new dataset, SEP, that allows estimating the measure for real-world models. Our results on various LLMs show that the problem of instruction-data separation is real: all models fail to achieve high separation, and canonical mitigation techniques, such as prompt engineering and fine-tuning, either fail to substantially improve separation or reduce model utility. The source code and SEP dataset are openly accessible at https://github.com/egozverev/Shold-It-Be-Executed-Or-Processed.\r\n"}],"day":"01","ddc":["000"],"publication":"arXiv","language":[{"iso":"eng"}],"acknowledgement":"The authors would like to sincerely thank Juan Rocamonde for valuable feedback to our manuscript. We acknowledge the support from the Scientific Service Units (SSU) of ISTA through resources provided by Scientific Computing (SciComp). We thank Dan Alistarh for providing us with computational resources. This work was partially funded by the German Federal Ministry of Education and Research (BMBF) under the grant AIgenCY (16KIS2012) and ELSA – European Lighthouse on Secure and Safe AI funded by the European Union under grant agreement No. 101070617. Views and opinions expressed are however those of the authors only and do not necessarily reflect those of the European Union or European Commission. Neither the European Union nor the European Commission can be held responsible for them.","oa_version":"Preprint","tmp":{"short":"CC BY (4.0)","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"},"citation":{"ama":"Zverev E, Abdelnabi S, Tabesh S, Fritz M, Lampert C. Can LLMs separate instructions from data? And what do we even mean by that? <i>arXiv</i>. doi:<a href=\"https://doi.org/10.48550/arXiv.2403.06833\">10.48550/arXiv.2403.06833</a>","ista":"Zverev E, Abdelnabi S, Tabesh S, Fritz M, Lampert C. Can LLMs separate instructions from data? And what do we even mean by that? arXiv, 2403.06833.","mla":"Zverev, Egor, et al. “Can LLMs Separate Instructions from Data? And What Do We Even Mean by That?” <i>ArXiv</i>, 2403.06833, doi:<a href=\"https://doi.org/10.48550/arXiv.2403.06833\">10.48550/arXiv.2403.06833</a>.","apa":"Zverev, E., Abdelnabi, S., Tabesh, S., Fritz, M., &#38; Lampert, C. (n.d.). Can LLMs separate instructions from data? And what do we even mean by that? <i>arXiv</i>. <a href=\"https://doi.org/10.48550/arXiv.2403.06833\">https://doi.org/10.48550/arXiv.2403.06833</a>","short":"E. Zverev, S. Abdelnabi, S. Tabesh, M. Fritz, C. Lampert, ArXiv (n.d.).","chicago":"Zverev, Egor, Sahar Abdelnabi, Soroush Tabesh, Mario Fritz, and Christoph Lampert. “Can LLMs Separate Instructions from Data? And What Do We Even Mean by That?” <i>ArXiv</i>, n.d. <a href=\"https://doi.org/10.48550/arXiv.2403.06833\">https://doi.org/10.48550/arXiv.2403.06833</a>.","ieee":"E. Zverev, S. Abdelnabi, S. Tabesh, M. Fritz, and C. Lampert, “Can LLMs separate instructions from data? And what do we even mean by that?,” <i>arXiv</i>. ."},"file":[{"date_created":"2025-02-20T10:11:45Z","file_name":"2403.06833v3.pdf","checksum":"35eb43968684b87be59144603ef10af0","content_type":"application/pdf","date_updated":"2025-02-20T10:11:45Z","access_level":"open_access","success":1,"creator":"ezverev","file_size":530972,"relation":"main_file","file_id":"19064"}],"file_date_updated":"2025-02-20T10:11:45Z","title":"Can LLMs separate instructions from data? And what do we even mean by that?","date_updated":"2026-08-13T07:26:54Z","acknowledged_ssus":[{"_id":"ScienComp"}],"year":"2024","doi":"10.48550/arXiv.2403.06833","status":"public","has_accepted_license":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"19063","corr_author":"1","author":[{"last_name":"Zverev","full_name":"Zverev, Egor","first_name":"Egor","id":"05162b19-1340-11ed-8f02-fa94e0e8c3bc"},{"full_name":"Abdelnabi, Sahar","last_name":"Abdelnabi","first_name":"Sahar"},{"last_name":"Tabesh","full_name":"Tabesh, Soroush","first_name":"Soroush","id":"06000900-6068-11ef-8d61-c2472ef2e752","orcid":"0009-0003-4119-6281"},{"full_name":"Fritz, Mario","last_name":"Fritz","first_name":"Mario"},{"last_name":"Lampert","full_name":"Lampert, Christoph","id":"40C20FD2-F248-11E8-B48F-1D18A9856A87","first_name":"Christoph","orcid":"0000-0001-8622-7887"}],"oa":1,"fulldoi":"https://doi.org/10.48550/arXiv.2403.06833","date_published":"2024-03-01T00:00:00Z","type":"preprint","arxiv":1,"related_material":{"link":[{"relation":"software","url":" https://github.com/egozverev/Shold-It-Be-Executed-Or-Processed"}]},"date_created":"2025-02-20T10:13:42Z","external_id":{"arxiv":["2403.06833"]},"article_number":"2403.06833","OA_place":"repository","month":"03","article_processing_charge":"No","OA_type":"green","department":[{"_id":"GradSch"},{"_id":"ChLa"}],"publication_status":"submitted"},{"publication_identifier":{"eissn":["2699-0016"]},"citation":{"ista":"Aebischer K, Becker LM, Schanda P, Ernst M. 2024. Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR. Magnetic Resonance. 5(1), 69–86.","mla":"Aebischer, Kathrin, et al. “Evaluating the Motional Timescales Contributing to Averaged Anisotropic Interactions in MAS Solid-State NMR.” <i>Magnetic Resonance</i>, vol. 5, no. 1, Copernicus Publications, 2024, pp. 69–86, doi:<a href=\"https://doi.org/10.5194/mr-5-69-2024\">10.5194/mr-5-69-2024</a>.","ama":"Aebischer K, Becker LM, Schanda P, Ernst M. Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR. <i>Magnetic Resonance</i>. 2024;5(1):69-86. doi:<a href=\"https://doi.org/10.5194/mr-5-69-2024\">10.5194/mr-5-69-2024</a>","ieee":"K. Aebischer, L. M. Becker, P. Schanda, and M. Ernst, “Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR,” <i>Magnetic Resonance</i>, vol. 5, no. 1. Copernicus Publications, pp. 69–86, 2024.","chicago":"Aebischer, Kathrin, Lea Marie Becker, Paul Schanda, and Matthias Ernst. “Evaluating the Motional Timescales Contributing to Averaged Anisotropic Interactions in MAS Solid-State NMR.” <i>Magnetic Resonance</i>. Copernicus Publications, 2024. <a href=\"https://doi.org/10.5194/mr-5-69-2024\">https://doi.org/10.5194/mr-5-69-2024</a>.","apa":"Aebischer, K., Becker, L. M., Schanda, P., &#38; Ernst, M. (2024). Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR. <i>Magnetic Resonance</i>. Copernicus Publications. <a href=\"https://doi.org/10.5194/mr-5-69-2024\">https://doi.org/10.5194/mr-5-69-2024</a>","short":"K. Aebischer, L.M. Becker, P. Schanda, M. Ernst, Magnetic Resonance 5 (2024) 69–86."},"file_date_updated":"2024-06-27T06:42:55Z","file":[{"success":1,"access_level":"open_access","date_updated":"2024-06-27T06:42:55Z","file_id":"17181","relation":"main_file","file_size":6736194,"creator":"dernst","checksum":"d01074f6919387fcaf8c9ebed320ccae","file_name":"2024_MagneticResonance_Aebischer.pdf","date_created":"2024-06-27T06:42:55Z","content_type":"application/pdf"}],"acknowledgement":"We would like to thank Kay Saalwächter for pointing out important aspects of the intermediate regime during the open review process. Lea Marie Becker is recipient of a DOC fellowship of the Austrian Academy of Sciences at the Institute of Science and Technology Austria.\r\nThis research has been supported by the Österreichischen Akademie der Wissenschaften (grant no. PR10660EAW01) and the Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (grant nos. 200020_188988 and 200020_219375).","issue":"1","language":[{"iso":"eng"}],"oa_version":"Published Version","tmp":{"short":"CC BY (4.0)","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"},"page":"69-86","publication":"Magnetic Resonance","ddc":["530"],"scopus_import":"1","article_type":"original","day":"11","abstract":[{"text":"Dynamic processes in molecules can occur on a wide range of timescales, and it is important to understand which timescales of motion contribute to different parameters used in dynamics measurements. For spin relaxation, this can easily be understood from the sampling frequencies of the spectral-density function by different relaxation-rate constants. In addition to data from relaxation measurements, determining dynamically averaged anisotropic interactions in magic-angle spinning (MAS) solid-state NMR allows for better quantification of the amplitude of molecular motion. For partially averaged anisotropic interactions, the relevant timescales of motion are not so clearly defined. Whether the averaging depends on the experimental methods (e.g., pulse sequences) or conditions (e.g., MAS frequency, magnitude of anisotropic interaction, radio-frequency field amplitudes) is not fully understood. To investigate these questions, we performed numerical simulations of dynamic systems based on the stochastic Liouville equation using several experiments for recoupling the dipolar coupling, chemical-shift anisotropy or quadrupolar coupling. As described in the literature, the transition between slow motion, where parameters characterizing the anisotropic interaction are not averaged, and fast motion, where the tensors are averaged leading to a scaled anisotropic quantity, occurs over a window of motional rate constants that depends mainly on the strength of the interaction. This transition region can span 2 orders of magnitude in exchange-rate constants (typically in the microsecond range) but depends only marginally on the employed recoupling scheme or sample spinning frequency. The transition region often coincides with a fast relaxation of coherences, making precise quantitative measurements difficult. Residual couplings in off-magic-angle experiments, however, average over longer timescales of motion. While in principle one may gain information on the timescales of motion from the transition area, extracting such information is hampered by low signal-to-noise ratio in experimental spectra due to fast relaxation that occurs in the same region.","lang":"eng"}],"volume":5,"project":[{"grant_number":"26777","name":"Exploring protein dynamics by solid-state MAS NMR through specific labeling approaches","_id":"7be609c4-9f16-11ee-852c-85015ce2b9b0"}],"external_id":{"pmid":["40384772"]},"date_created":"2024-06-23T22:01:02Z","publication_status":"published","article_processing_charge":"Yes","month":"06","department":[{"_id":"PaSc"}],"fulldoi":"https://doi.org/10.5194/mr-5-69-2024","pmid":1,"related_material":{"record":[{"relation":"research_data","id":"22906","status":"public"}]},"type":"journal_article","date_published":"2024-06-11T00:00:00Z","author":[{"last_name":"Aebischer","full_name":"Aebischer, Kathrin","first_name":"Kathrin"},{"last_name":"Becker","full_name":"Becker, Lea Marie","id":"36336939-eb97-11eb-a6c2-c83f1214ca79","first_name":"Lea Marie","orcid":"0000-0002-6401-5151"},{"first_name":"Paul","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606","last_name":"Schanda","full_name":"Schanda, Paul"},{"full_name":"Ernst, Matthias","last_name":"Ernst","first_name":"Matthias"}],"oa":1,"publisher":"Copernicus Publications","intvolume":"         5","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","has_accepted_license":"1","quality_controlled":"1","title":"Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR","year":"2024","date_updated":"2026-09-11T08:49:55Z","doi":"10.5194/mr-5-69-2024","_id":"17161"}]
