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Annali Della Scuola Normale Superiore Di Pisa, Classe Di Scienze. Scuola Normale Superiore - Edizioni della Normale. https://doi.org/10.2422/2036-2145.202412_006","ista":"Chan S, Koymans P, Pagano C, Sofos E. 2025. 6-torision and integral points on quartic threefolds. Annali della Scuola Normale Superiore di Pisa, Classe di Scienze., 18.","ama":"Chan S, Koymans P, Pagano C, Sofos E. 6-torision and integral points on quartic threefolds. Annali della Scuola Normale Superiore di Pisa, Classe di Scienze. 2025. doi:10.2422/2036-2145.202412_006","chicago":"Chan, Stephanie, Peter Koymans, Carlo Pagano, and Efthymios Sofos. “6-Torision and Integral Points on Quartic Threefolds.” Annali Della Scuola Normale Superiore Di Pisa, Classe Di Scienze. Scuola Normale Superiore - Edizioni della Normale, 2025. https://doi.org/10.2422/2036-2145.202412_006."},"day":"07","type":"journal_article","_id":"19483","abstract":[{"text":"We prove matching upper and lower bounds for the average of the6-torsionof class groups of quadratic fields. Furthermore, we count the number of integer solutions on an affine quartic threefold.","lang":"eng"}],"language":[{"iso":"eng"}],"external_id":{"arxiv":["2403.13359"]},"status":"public","publication":"Annali della Scuola Normale Superiore di Pisa, Classe di Scienze","date_updated":"2025-05-14T11:40:24Z","oa_version":"Preprint","OA_type":"green","title":"6-torision and integral points on quartic threefolds","date_created":"2025-04-05T10:49:27Z","arxiv":1,"publication_identifier":{"issn":["0391-173X"],"eissn":["2036-2145"]},"publication_status":"epub_ahead","publisher":"Scuola Normale Superiore - Edizioni della Normale","corr_author":"1","article_processing_charge":"No","article_type":"original","department":[{"_id":"TiBr"}],"month":"03","author":[{"last_name":"Chan","full_name":"Chan, Yik Tung","orcid":"0000-0001-8467-4106","id":"c4c0afc8-9262-11ed-9231-d8b0bc743af1","first_name":"Yik Tung"},{"full_name":"Koymans, Peter","last_name":"Koymans","first_name":"Peter"},{"first_name":"Carlo","last_name":"Pagano","full_name":"Pagano, Carlo"},{"full_name":"Sofos, Efthymios","last_name":"Sofos","first_name":"Efthymios"}],"doi":"10.2422/2036-2145.202412_006","oa":1},{"has_accepted_license":"1","citation":{"ama":"Cheng B. Latent Ewald summation for machine learning of long-range interactions. npj Computational Materials. 2025;11. doi:10.1038/s41524-025-01577-7","ista":"Cheng B. 2025. Latent Ewald summation for machine learning of long-range interactions. npj Computational Materials. 11, 80.","chicago":"Cheng, Bingqing. “Latent Ewald Summation for Machine Learning of Long-Range Interactions.” Npj Computational Materials. Springer Nature, 2025. https://doi.org/10.1038/s41524-025-01577-7.","mla":"Cheng, Bingqing. “Latent Ewald Summation for Machine Learning of Long-Range Interactions.” Npj Computational Materials, vol. 11, 80, Springer Nature, 2025, doi:10.1038/s41524-025-01577-7.","short":"B. Cheng, Npj Computational Materials 11 (2025).","ieee":"B. Cheng, “Latent Ewald summation for machine learning of long-range interactions,” npj Computational Materials, vol. 11. Springer Nature, 2025.","apa":"Cheng, B. (2025). Latent Ewald summation for machine learning of long-range interactions. Npj Computational Materials. Springer Nature. https://doi.org/10.1038/s41524-025-01577-7"},"day":"26","abstract":[{"lang":"eng","text":"Machine learning interatomic potentials (MLIPs) often neglect long-range interactions, such as electrostatic and dispersion forces. In this work, we introduce a straightforward and efficient method to account for long-range interactions by learning a hidden variable from local atomic descriptors and applying an Ewald summation to this variable. We demonstrate that in systems including charged and polar molecular dimers, bulk water, and water-vapor interface, standard short-ranged MLIPs can lead to unphysical predictions even when employing message passing. The long-range models effectively eliminate these artifacts, with only about twice the computational cost of short-range MLIPs."}],"_id":"19495","language":[{"iso":"eng"}],"external_id":{"isi":["001453622900002"],"arxiv":["2408.15165"]},"type":"journal_article","quality_controlled":"1","date_published":"2025-03-26T00:00:00Z","OA_place":"publisher","article_number":"80","intvolume":" 11","year":"2025","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["000"],"date_updated":"2025-09-30T11:31:47Z","publication":"npj Computational Materials","isi":1,"file_date_updated":"2025-04-08T09:34:58Z","DOAJ_listed":"1","scopus_import":"1","status":"public","file":[{"file_name":"2025_npjCompMaterials_Cheng.pdf","checksum":"cc99b7407a12139d9b2d8457961935ae","date_updated":"2025-04-08T09:34:58Z","creator":"dernst","relation":"main_file","file_id":"19528","access_level":"open_access","date_created":"2025-04-08T09:34:58Z","file_size":1608315,"content_type":"application/pdf","success":1}],"publication_status":"published","date_created":"2025-04-06T22:01:32Z","title":"Latent Ewald summation for machine learning of long-range interactions","oa_version":"Published Version","OA_type":"gold","arxiv":1,"publication_identifier":{"eissn":["2057-3960"]},"volume":11,"author":[{"first_name":"Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","orcid":"0000-0002-3584-9632","full_name":"Cheng, Bingqing","last_name":"Cheng"}],"article_type":"original","month":"03","department":[{"_id":"BiCh"}],"acknowledgement":"B. C. thanks David Limmer for providing the water slab dataset, and Carolin Faller for the NaCl dataset.","doi":"10.1038/s41524-025-01577-7","oa":1,"tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"corr_author":"1","article_processing_charge":"Yes","publisher":"Springer Nature"},{"publication_status":"published","arxiv":1,"publication_identifier":{"eissn":["1432-1823"],"issn":["0025-5874"]},"oa_version":"Preprint","OA_type":"green","title":"Scales","date_created":"2025-04-06T22:01:32Z","doi":"10.1007/s00209-025-03719-5","oa":1,"article_type":"original","month":"05","department":[{"_id":"VaKa"}],"author":[{"first_name":"Mathieu","id":"7d296fbe-e2c6-11ee-84d3-d5c2945f9a57","last_name":"Helfter","full_name":"Helfter, Mathieu"}],"volume":310,"publisher":"Springer Nature","corr_author":"1","article_processing_charge":"No","type":"journal_article","quality_controlled":"1","_id":"19496","abstract":[{"text":"We introduce the notions of scale for sets and measures on metric space by generalizing the usual notions of dimension. Several versions of scales are introduced such as Hausdorff, packing, box, local and quantization. They are defined for different growth, allowing a refined study of infinite dimensional spaces. We prove general theorems comparing the different versions of scales. They are applied to describe geometries of ergodic decompositions, of the Wiener measure and from functional spaces. The first application solves a problem of Berger on the notions of emergence (2020); the second lies in the geometry of the Wiener measure and extends the work of Dereich–Lifshits (2005); the last refines Kolmogorov–Tikhomirov (1958) study on finitely differentiable functions.","lang":"eng"}],"language":[{"iso":"eng"}],"external_id":{"arxiv":["2206.05231"],"isi":["001450830300001"]},"day":"01","citation":{"chicago":"Helfter, Mathieu. “Scales.” Mathematische Zeitschrift. Springer Nature, 2025. https://doi.org/10.1007/s00209-025-03719-5.","ista":"Helfter M. 2025. Scales. Mathematische Zeitschrift. 310, 15.","ama":"Helfter M. Scales. Mathematische Zeitschrift. 2025;310. doi:10.1007/s00209-025-03719-5","apa":"Helfter, M. (2025). Scales. Mathematische Zeitschrift. Springer Nature. https://doi.org/10.1007/s00209-025-03719-5","short":"M. Helfter, Mathematische Zeitschrift 310 (2025).","ieee":"M. Helfter, “Scales,” Mathematische Zeitschrift, vol. 310. Springer Nature, 2025.","mla":"Helfter, Mathieu. “Scales.” Mathematische Zeitschrift, vol. 310, 15, Springer Nature, 2025, doi:10.1007/s00209-025-03719-5."},"year":"2025","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","article_number":"15","intvolume":" 310","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2206.05231"}],"date_published":"2025-05-01T00:00:00Z","OA_place":"repository","isi":1,"publication":"Mathematische Zeitschrift","date_updated":"2025-09-30T11:31:00Z","status":"public","scopus_import":"1"},{"publisher":"IOP Publishing","article_processing_charge":"No","article_type":"original","department":[{"_id":"ZoHa"}],"month":"04","author":[{"first_name":"Ágnes","full_name":"Kis-Tóth, Ágnes","last_name":"Kis-Tóth"},{"last_name":"Haiman","full_name":"Haiman, Zoltán","id":"7c006e8c-cc0d-11ee-8322-cb904ef76f36","first_name":"Zoltán","orcid":"0000-0003-3633-5403"},{"first_name":"Zsolt","last_name":"Frei","full_name":"Frei, Zsolt"}],"volume":42,"acknowledgement":"We thank Chengcheng Xin and Girish Kulkarni for useful discussions. ZH gratefully acknowledges the hospitality of Eötvös University during an extended sabbatical visit, where this work began. ZH acknowledges support from NSF Grant AST-2006176 and NASA Grants 80NSSC22K0822 and 80NSSC24K0440. ZF acknowledges support from the Hungarian National Research, Development and Innovation Office (NKFIH) through the Institutional Excellence Program No. TKP2021-NKTA-64.","oa":1,"doi":"10.1088/1361-6382/adbda6","oa_version":"Preprint","OA_type":"green","title":"Can quasars, triggered by mergers, account for NANOGrav’s stochastic gravitational wave background?","date_created":"2025-04-06T22:01:32Z","arxiv":1,"publication_identifier":{"eissn":["1361-6382"],"issn":["0264-9381"]},"publication_status":"published","scopus_import":"1","issue":"7","status":"public","isi":1,"date_updated":"2025-09-30T11:30:11Z","publication":"Classical and Quantum Gravity","main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.2412.12726"}],"date_published":"2025-04-04T00:00:00Z","OA_place":"repository","year":"2025","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","intvolume":" 42","article_number":"075007","citation":{"ista":"Kis-Tóth Á, Haiman Z, Frei Z. 2025. Can quasars, triggered by mergers, account for NANOGrav’s stochastic gravitational wave background? Classical and Quantum Gravity. 42(7), 075007.","ama":"Kis-Tóth Á, Haiman Z, Frei Z. Can quasars, triggered by mergers, account for NANOGrav’s stochastic gravitational wave background? Classical and Quantum Gravity. 2025;42(7). doi:10.1088/1361-6382/adbda6","chicago":"Kis-Tóth, Ágnes, Zoltán Haiman, and Zsolt Frei. “Can Quasars, Triggered by Mergers, Account for NANOGrav’s Stochastic Gravitational Wave Background?” Classical and Quantum Gravity. IOP Publishing, 2025. https://doi.org/10.1088/1361-6382/adbda6.","short":"Á. Kis-Tóth, Z. Haiman, Z. Frei, Classical and Quantum Gravity 42 (2025).","ieee":"Á. Kis-Tóth, Z. Haiman, and Z. Frei, “Can quasars, triggered by mergers, account for NANOGrav’s stochastic gravitational wave background?,” Classical and Quantum Gravity, vol. 42, no. 7. IOP Publishing, 2025.","mla":"Kis-Tóth, Ágnes, et al. “Can Quasars, Triggered by Mergers, Account for NANOGrav’s Stochastic Gravitational Wave Background?” Classical and Quantum Gravity, vol. 42, no. 7, 075007, IOP Publishing, 2025, doi:10.1088/1361-6382/adbda6.","apa":"Kis-Tóth, Á., Haiman, Z., & Frei, Z. (2025). Can quasars, triggered by mergers, account for NANOGrav’s stochastic gravitational wave background? Classical and Quantum Gravity. IOP Publishing. https://doi.org/10.1088/1361-6382/adbda6"},"day":"04","type":"journal_article","quality_controlled":"1","abstract":[{"lang":"eng","text":"The stochastic gravitational wave (GW) background recently discovered by several pulsar timing array experiments is consistent with arising from a population of coalescing super-massive black hole binaries. The amplitude of the background is somewhat higher than expected in most previous population models or from the local mass density observations. Such binaries are expected to be produced in galaxy mergers, which are also thought to trigger bright quasar activity. Under the assumptions that (i) a fraction fbin∼1 of all quasars are associated with mergers, (ii) the typical quasar lifetime is tQ∼108 yr, and (iii) adopting Eddington ratios fEdd∼0.25 for the luminosity of quasars, we compute the GW background associated directly with the empirically measured quasar luminosity function. This approach bypasses the need to model the cosmological evolution of black holes or galaxy mergers from simulations or semi-analytical models. We find the amplitude matching the value measured by NANOGrav. Our results are consistent with most quasars being associated with black hole binaries and being the sources of the GW background, and imply a joint constraint on tQ, fEdd and the typical mass ratio q≡M2/M1. The signal in this case would be dominated by relatively distant ∼109M⊙ sources at z≈2−3, at the peak of quasar activity. Similarly to other models, our results remain in tension with the local super-massive black hole mass density."}],"_id":"19497","language":[{"iso":"eng"}],"external_id":{"arxiv":["2412.12726"],"isi":["001448904700001"]}},{"publication_identifier":{"issn":["0027-8424"],"eissn":["1091-6490"]},"oa_version":"Published Version","OA_type":"hybrid","date_created":"2025-04-06T22:01:32Z","title":"Hardware-optimal quantum algorithms","publication_status":"published","file":[{"success":1,"content_type":"application/pdf","date_created":"2025-04-07T11:42:22Z","file_size":6805668,"access_level":"open_access","creator":"dernst","relation":"main_file","date_updated":"2025-04-07T11:42:22Z","file_id":"19524","checksum":"83501b8a65ee5fdd3f5604fc28eddc22","file_name":"2025_PNAS_Muroya.pdf"}],"publisher":"National Academy of Sciences","corr_author":"1","tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"},"article_processing_charge":"Yes (in subscription journal)","pmid":1,"related_material":{"link":[{"url":"https://github.com/smml1996/algorithm_synthesis","relation":"software"}]},"acknowledgement":"We thank the reviewers. In particular, they inspired us to analyze the reset and state-preparation problems, to compute optimal qubit mappings, and to apply our method to a quantum error correction scheme that includes both bitflip and phaseflip corrections. We also thank Raimundo Saona and Marek Chalupa for their time spent in insightful discussions. This research was partially supported by the European Research Council CoG 863818 (ForM-SMArt) grant.","oa":1,"doi":"10.1073/pnas.2419273122","article_type":"original","project":[{"name":"Formal Methods for Stochastic Models: Algorithms and Applications","grant_number":"863818","_id":"0599E47C-7A3F-11EA-A408-12923DDC885E","call_identifier":"H2020"}],"department":[{"_id":"KrCh"},{"_id":"ToHe"}],"month":"03","author":[{"full_name":"Muroya Lei, Stefanie","last_name":"Muroya Lei","id":"a376de31-8972-11ed-ae7b-d0251c13c8ff","first_name":"Stefanie"},{"last_name":"Chatterjee","full_name":"Chatterjee, Krishnendu","orcid":"0000-0002-4561-241X","id":"2E5DCA20-F248-11E8-B48F-1D18A9856A87","first_name":"Krishnendu"},{"orcid":"0000-0002-2985-7724","first_name":"Thomas A","id":"40876CD8-F248-11E8-B48F-1D18A9856A87","full_name":"Henzinger, Thomas A","last_name":"Henzinger"}],"volume":122,"year":"2025","ddc":["000"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 122","article_number":"e2419273122","date_published":"2025-03-25T00:00:00Z","OA_place":"publisher","type":"journal_article","quality_controlled":"1","_id":"19499","language":[{"iso":"eng"}],"abstract":[{"text":"Quantum hardware is inherently fragile and noisy. We find that the accuracy of traditional quantum error correction algorithms can be improved depending on the hardware. Given different hardware specifications, we automatically synthesize hardware-optimal algorithms for parity correction, qubit resetting, and GHZ (Greenberger–Horne–Zeilinger) state preparation. Using stochastic techniques from computer science, our method presents a computational tool to compute exact accuracy guarantees and synthesize optimal algorithms that are often different from traditional ones. We also show that improvements can be gained with respect to the Qiskit transpiler as we compute the hardware-optimal qubit mapping for the GHZ state-preparation problem.","lang":"eng"}],"external_id":{"isi":["001459435600001"],"pmid":["40106357"]},"has_accepted_license":"1","day":"25","citation":{"ista":"Muroya Lei S, Chatterjee K, Henzinger TA. 2025. Hardware-optimal quantum algorithms. Proceedings of the National Academy of Sciences. 122(12), e2419273122.","ama":"Muroya Lei S, Chatterjee K, Henzinger TA. Hardware-optimal quantum algorithms. Proceedings of the National Academy of Sciences. 2025;122(12). doi:10.1073/pnas.2419273122","chicago":"Muroya Lei, Stefanie, Krishnendu Chatterjee, and Thomas A Henzinger. “Hardware-Optimal Quantum Algorithms.” Proceedings of the National Academy of Sciences. National Academy of Sciences, 2025. https://doi.org/10.1073/pnas.2419273122.","ieee":"S. Muroya Lei, K. Chatterjee, and T. A. Henzinger, “Hardware-optimal quantum algorithms,” Proceedings of the National Academy of Sciences, vol. 122, no. 12. National Academy of Sciences, 2025.","short":"S. Muroya Lei, K. Chatterjee, T.A. Henzinger, Proceedings of the National Academy of Sciences 122 (2025).","mla":"Muroya Lei, Stefanie, et al. “Hardware-Optimal Quantum Algorithms.” Proceedings of the National Academy of Sciences, vol. 122, no. 12, e2419273122, National Academy of Sciences, 2025, doi:10.1073/pnas.2419273122.","apa":"Muroya Lei, S., Chatterjee, K., & Henzinger, T. A. (2025). Hardware-optimal quantum algorithms. Proceedings of the National Academy of Sciences. National Academy of Sciences. https://doi.org/10.1073/pnas.2419273122"},"status":"public","scopus_import":"1","ec_funded":1,"issue":"12","license":"https://creativecommons.org/licenses/by-nc-nd/4.0/","file_date_updated":"2025-04-07T11:42:22Z","isi":1,"date_updated":"2026-02-16T12:28:25Z","publication":"Proceedings of the National Academy of Sciences"},{"type":"journal_article","quality_controlled":"1","abstract":[{"lang":"eng","text":"We consider the Brown measure of the free circular Brownian motion, a+t√x , with an arbitrary initial condition a , i.e. a is a general non-normal operator and x is a circular element ∗ -free from a . We prove that, under a mild assumption on a , the density of the Brown measure has one of the following two types of behavior around each point on the boundary of its support -- either (i) sharp cut, i.e. a jump discontinuity along the boundary, or (ii) quadratic decay at certain critical points on the boundary. Our result is in direct analogy with the previously known phenomenon for the spectral density of free semicircular Brownian motion, whose singularities are either a square-root edge or a cubic cusp. We also provide several examples and counterexamples, one of which shows that our assumption on a is necessary."}],"_id":"19500","language":[{"iso":"eng"}],"external_id":{"isi":["001450119900005"],"arxiv":["2307.08626"]},"has_accepted_license":"1","citation":{"mla":"Erdös, László, and Hong Chang Ji. “Density of Brown Measure of Free Circular Brownian Motion.” Documenta Mathematica, vol. 30, no. 2, EMS Press, 2025, pp. 417–53, doi:10.4171/DM/999.","short":"L. Erdös, H.C. Ji, Documenta Mathematica 30 (2025) 417–453.","ieee":"L. Erdös and H. C. Ji, “Density of Brown measure of free circular Brownian motion,” Documenta Mathematica, vol. 30, no. 2. EMS Press, pp. 417–453, 2025.","apa":"Erdös, L., & Ji, H. C. (2025). Density of Brown measure of free circular Brownian motion. Documenta Mathematica. EMS Press. https://doi.org/10.4171/DM/999","ama":"Erdös L, Ji HC. Density of Brown measure of free circular Brownian motion. Documenta Mathematica. 2025;30(2):417-453. doi:10.4171/DM/999","ista":"Erdös L, Ji HC. 2025. Density of Brown measure of free circular Brownian motion. Documenta Mathematica. 30(2), 417–453.","chicago":"Erdös, László, and Hong Chang Ji. “Density of Brown Measure of Free Circular Brownian Motion.” Documenta Mathematica. EMS Press, 2025. https://doi.org/10.4171/DM/999."},"day":"20","year":"2025","ddc":["510"],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","intvolume":" 30","date_published":"2025-03-20T00:00:00Z","OA_place":"publisher","file_date_updated":"2025-04-07T11:21:13Z","isi":1,"publication":"Documenta Mathematica","date_updated":"2025-09-30T11:28:02Z","page":"417-453","status":"public","scopus_import":"1","ec_funded":1,"DOAJ_listed":"1","issue":"2","publication_status":"published","file":[{"content_type":"application/pdf","success":1,"date_created":"2025-04-07T11:21:13Z","file_size":1366865,"access_level":"open_access","relation":"main_file","file_id":"19523","creator":"dernst","date_updated":"2025-04-07T11:21:13Z","checksum":"97a02d18c05f2b9f2048747b140e7d43","file_name":"2025_DocumentaMathematica_Erdoes.pdf"}],"publication_identifier":{"eissn":["1431-0643"],"issn":["1431-0635"]},"arxiv":1,"oa_version":"Published Version","OA_type":"gold","date_created":"2025-04-06T22:01:32Z","title":"Density of Brown measure of free circular Brownian motion","acknowledgement":"We thank Ping Zhong for pointing out references [15,19] and providing helpful comments. We also thank the anonymous referee for many valuable comments and proposals to streamline the presentation. This work was partially supported by ERC Advanced Grant “RMTBeyond” No. 10102033.","oa":1,"doi":"10.4171/DM/999","article_type":"original","project":[{"_id":"62796744-2b32-11ec-9570-940b20777f1d","call_identifier":"H2020","grant_number":"101020331","name":"Random matrices beyond Wigner-Dyson-Mehta"}],"month":"03","department":[{"_id":"LaEr"}],"author":[{"full_name":"Erdös, László","last_name":"Erdös","id":"4DBD5372-F248-11E8-B48F-1D18A9856A87","first_name":"László","orcid":"0000-0001-5366-9603"},{"first_name":"Hong Chang","full_name":"Ji, Hong Chang","last_name":"Ji"}],"volume":30,"publisher":"EMS Press","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"corr_author":"1","article_processing_charge":"Yes"},{"scopus_import":"1","issue":"3","status":"public","isi":1,"date_updated":"2025-09-30T11:27:25Z","publication":"Physical Review A","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2502.14521","open_access":"1"}],"OA_place":"repository","date_published":"2025-03-21T00:00:00Z","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","year":"2025","intvolume":" 111","article_number":"033114","citation":{"chicago":"Kristensen, Henrik H., Lorenz Kranabetter, Areg Ghazaryan, Constant A. Schouder, Emil Hansen, Frank Jensen, Robert E. Zillich, Mikhail Lemeshko, and Henrik Stapelfeldt. “Nonadiabatic Laser-Induced Alignment Dynamics of Alkali-Metal Dimers on the Surface of a Helium Droplet.” Physical Review A. American Physical Society, 2025. https://doi.org/10.1103/PhysRevA.111.033114.","ama":"Kristensen HH, Kranabetter L, Ghazaryan A, et al. Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet. Physical Review A. 2025;111(3). doi:10.1103/PhysRevA.111.033114","ista":"Kristensen HH, Kranabetter L, Ghazaryan A, Schouder CA, Hansen E, Jensen F, Zillich RE, Lemeshko M, Stapelfeldt H. 2025. Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet. Physical Review A. 111(3), 033114.","apa":"Kristensen, H. H., Kranabetter, L., Ghazaryan, A., Schouder, C. A., Hansen, E., Jensen, F., … Stapelfeldt, H. (2025). Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet. Physical Review A. American Physical Society. https://doi.org/10.1103/PhysRevA.111.033114","mla":"Kristensen, Henrik H., et al. “Nonadiabatic Laser-Induced Alignment Dynamics of Alkali-Metal Dimers on the Surface of a Helium Droplet.” Physical Review A, vol. 111, no. 3, 033114, American Physical Society, 2025, doi:10.1103/PhysRevA.111.033114.","short":"H.H. Kristensen, L. Kranabetter, A. Ghazaryan, C.A. Schouder, E. Hansen, F. Jensen, R.E. Zillich, M. Lemeshko, H. Stapelfeldt, Physical Review A 111 (2025).","ieee":"H. H. Kristensen et al., “Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet,” Physical Review A, vol. 111, no. 3. American Physical Society, 2025."},"day":"21","quality_controlled":"1","type":"journal_article","external_id":{"isi":["001459727400007"],"arxiv":["2502.14521"]},"_id":"19502","language":[{"iso":"eng"}],"abstract":[{"text":"Alkali dimers, Ak2, located on the surface of a helium nanodroplet, are set into rotation through the polarizability interaction with a nonresonant 1-ps-long laser pulse. The time-dependent degree of alignment is recorded using femtosecond-probe-pulse-induced Coulomb explosion into a pair of Ak+ fragment ions. The results, obtained for Na2, K2, and Rb2 in both the ground state 11Σ+g and the lowest-lying triplet state 13Σ+u, exhibit distinct, periodic revivals with a gradually decreasing amplitude. The dynamics differ from that expected for dimers had they behaved as free rotors. Numerically, we solve the time-dependent rotational Schrödinger equation, including an effective mean-field potential to describe the interaction between the dimer and the droplet. The experimental and simulated alignment dynamics agree well and their comparison enables us to determine the effective rotational constants of the alkali dimers with the exception of Rb2(13Σ+u) that only exhibits a prompt alignment peak but no subsequent revivals. For Na2(13Σ+u), K2(11Σ+g), K2(13Σ+u) and Rb2(11Σ+g), the alignment dynamics are well-described by a 2D rotor model. We ascribe this to a significant confinement of the internuclear axis of these dimers, induced by the orientation-dependent droplet-dimer interaction, to the tangential plane of their residence point on the droplet.","lang":"eng"}],"publisher":"American Physical Society","article_processing_charge":"No","department":[{"_id":"MiLe"}],"month":"03","article_type":"original","author":[{"full_name":"Kristensen, Henrik H.","last_name":"Kristensen","first_name":"Henrik H."},{"first_name":"Lorenz","full_name":"Kranabetter, Lorenz","last_name":"Kranabetter"},{"last_name":"Ghazaryan","full_name":"Ghazaryan, Areg","orcid":"0000-0001-9666-3543","id":"4AF46FD6-F248-11E8-B48F-1D18A9856A87","first_name":"Areg"},{"first_name":"Constant A.","last_name":"Schouder","full_name":"Schouder, Constant A."},{"last_name":"Hansen","full_name":"Hansen, Emil","first_name":"Emil"},{"full_name":"Jensen, Frank","last_name":"Jensen","first_name":"Frank"},{"first_name":"Robert E.","last_name":"Zillich","full_name":"Zillich, Robert E."},{"orcid":"0000-0002-6990-7802","first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","last_name":"Lemeshko","full_name":"Lemeshko, Mikhail"},{"last_name":"Stapelfeldt","full_name":"Stapelfeldt, Henrik","first_name":"Henrik"}],"volume":111,"doi":"10.1103/PhysRevA.111.033114","oa":1,"acknowledgement":"H.S. acknowledges support from the Villum Foundation through a Villum Investigator Grant No. 25886. We thank Jan Thøgersen for expert help with the optics and the laser system.","OA_type":"green","oa_version":"Preprint","title":"Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet","date_created":"2025-04-06T22:01:32Z","publication_identifier":{"issn":["2469-9926"],"eissn":["2469-9934"]},"arxiv":1,"publication_status":"published"},{"publication_identifier":{"issn":["0963-5483"],"eissn":["1469-2163"]},"arxiv":1,"title":"A note on digraph splitting","date_created":"2025-04-06T22:01:32Z","oa_version":"Published Version","OA_type":"hybrid","publication_status":"published","file":[{"file_id":"20135","date_updated":"2025-08-05T12:54:06Z","relation":"main_file","creator":"dernst","file_name":"2025_CombProbComputing_Christoph.pdf","checksum":"98491e59b4f0d05d69f608bbd5706f1a","date_created":"2025-08-05T12:54:06Z","file_size":188818,"success":1,"content_type":"application/pdf","access_level":"open_access"}],"tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"article_processing_charge":"Yes (in subscription journal)","publisher":"Cambridge University Press","acknowledgement":"Funded by SNSF Ambizione grant No. 216071. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No, 101034413. Funded by SNSF grant CRSII5, 173721.","doi":"10.1017/S0963548325000045","oa":1,"author":[{"full_name":"Christoph, Micha","last_name":"Christoph","first_name":"Micha"},{"full_name":"Petrova, Kalina H","last_name":"Petrova","first_name":"Kalina H","id":"554ff4e4-f325-11ee-b0c4-a10dbd523381"},{"full_name":"Steiner, Raphael","last_name":"Steiner","first_name":"Raphael"}],"volume":34,"project":[{"grant_number":"101034413","call_identifier":"H2020","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","name":"IST-BRIDGE: International postdoctoral program"}],"article_type":"original","department":[{"_id":"MaKw"}],"month":"07","intvolume":" 34","year":"2025","ddc":["510"],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","date_published":"2025-07-01T00:00:00Z","OA_place":"publisher","_id":"19503","abstract":[{"text":"A tantalizing open problem, posed independently by Stiebitz in 1995 and by Alon in 1996 and again in 2006, asks whether for every pair of integers s,t≥1 there exists a finite number F(s,t)\r\nsuch that the vertex set of every digraph of minimum out-degree at least F(s,t) can be partitioned into non-empty parts A and B such that the subdigraphs induced on A\r\n and B have minimum out-degree at least s and t , respectively.\r\nIn this short note, we prove that if F(2,2) exists, then all the numbers F(s,t) with s,t≥1\r\n exist and satisfy F(s,t)=Θ(s+t) . In consequence, the problem of Alon and Stiebitz reduces to the case s=t=2 . Moreover, the numbers F(s,t) with s,t≥2 either all exist and grow linearly, or all of them do not exist.","lang":"eng"}],"language":[{"iso":"eng"}],"external_id":{"isi":["001449245700001"],"arxiv":["2310.08449"]},"type":"journal_article","quality_controlled":"1","has_accepted_license":"1","citation":{"ista":"Christoph M, Petrova KH, Steiner R. 2025. A note on digraph splitting. Combinatorics Probability and Computing. 34(4), 559–564.","ama":"Christoph M, Petrova KH, Steiner R. A note on digraph splitting. Combinatorics Probability and Computing. 2025;34(4):559-564. doi:10.1017/S0963548325000045","chicago":"Christoph, Micha, Kalina H Petrova, and Raphael Steiner. “A Note on Digraph Splitting.” Combinatorics Probability and Computing. Cambridge University Press, 2025. https://doi.org/10.1017/S0963548325000045.","ieee":"M. Christoph, K. H. Petrova, and R. Steiner, “A note on digraph splitting,” Combinatorics Probability and Computing, vol. 34, no. 4. Cambridge University Press, pp. 559–564, 2025.","short":"M. Christoph, K.H. Petrova, R. Steiner, Combinatorics Probability and Computing 34 (2025) 559–564.","mla":"Christoph, Micha, et al. “A Note on Digraph Splitting.” Combinatorics Probability and Computing, vol. 34, no. 4, Cambridge University Press, 2025, pp. 559–64, doi:10.1017/S0963548325000045.","apa":"Christoph, M., Petrova, K. H., & Steiner, R. (2025). A note on digraph splitting. Combinatorics Probability and Computing. Cambridge University Press. https://doi.org/10.1017/S0963548325000045"},"day":"01","status":"public","page":"559-564","ec_funded":1,"issue":"4","scopus_import":"1","file_date_updated":"2025-08-05T12:54:06Z","publication":"Combinatorics Probability and Computing","date_updated":"2025-09-30T11:26:00Z","isi":1},{"date_updated":"2025-09-30T11:25:14Z","publication":"Nature Astronomy","isi":1,"file_date_updated":"2025-08-05T12:49:36Z","scopus_import":"1","page":"710-719","status":"public","day":"17","citation":{"chicago":"Wang, Weichen, Sebastiano Cantalupo, Antonio Pensabene, Marta Galbiati, Andrea Travascio, Charles C. Steidel, Michael V. Maseda, et al. “A Giant Disk Galaxy Two Billion Years after the Big Bang.” Nature Astronomy. Springer Nature, 2025. https://doi.org/10.1038/s41550-025-02500-2.","ista":"Wang W, Cantalupo S, Pensabene A, Galbiati M, Travascio A, Steidel CC, Maseda MV, Pezzulli G, De Beer S, Fossati M, Fumagalli M, Gallego SG, Lazeyras T, Mackenzie R, Matthee JJ, Nanayakkara T, Quadri G. 2025. A giant disk galaxy two billion years after the Big Bang. Nature Astronomy. 9, 710–719.","ama":"Wang W, Cantalupo S, Pensabene A, et al. A giant disk galaxy two billion years after the Big Bang. Nature Astronomy. 2025;9:710-719. doi:10.1038/s41550-025-02500-2","apa":"Wang, W., Cantalupo, S., Pensabene, A., Galbiati, M., Travascio, A., Steidel, C. C., … Quadri, G. (2025). A giant disk galaxy two billion years after the Big Bang. Nature Astronomy. Springer Nature. https://doi.org/10.1038/s41550-025-02500-2","ieee":"W. Wang et al., “A giant disk galaxy two billion years after the Big Bang,” Nature Astronomy, vol. 9. Springer Nature, pp. 710–719, 2025.","short":"W. Wang, S. Cantalupo, A. Pensabene, M. Galbiati, A. Travascio, C.C. Steidel, M.V. Maseda, G. Pezzulli, S. De Beer, M. Fossati, M. Fumagalli, S.G. Gallego, T. Lazeyras, R. Mackenzie, J.J. Matthee, T. Nanayakkara, G. Quadri, Nature Astronomy 9 (2025) 710–719.","mla":"Wang, Weichen, et al. “A Giant Disk Galaxy Two Billion Years after the Big Bang.” Nature Astronomy, vol. 9, Springer Nature, 2025, pp. 710–19, doi:10.1038/s41550-025-02500-2."},"has_accepted_license":"1","external_id":{"pmid":["40417329"],"isi":["001447477100001"],"arxiv":["2409.17956"]},"language":[{"iso":"eng"}],"_id":"19504","abstract":[{"text":"Observational studies have shown that galaxy disks were already in place in the first few billion years of the Universe. The early disks detected so far, with typical half-light radii of 3 kpc at stellar masses around 1011 M⊙ for redshift z ≈ 3, are significantly smaller than today’s disks with similar masses, which is in agreement with expectations from current galaxy models. Here we report observations of a giant disk at z = 3.25, when the Universe was only two billion years old, with a half-light radius of 9.6 kpc and stellar mass of (math formular). This galaxy is larger than any other kinematically confirmed disks at similar epochs and is surprisingly similar to today’s largest disks with regard to size and mass. James Webb Space Telescope imaging and spectroscopy reveal its spiral morphology and a rotational velocity consistent with a local Tully–Fisher relationship. Multiwavelength observations show that it lies in an exceptionally dense environment, where the galaxy number density is more than ten times higher than the cosmic average and mergers are frequent. The discovery of such a giant disk suggests the presence of favourable physical conditions for large-disk formation in dense environments in the early Universe, which may include efficient accretion of gas carrying coherent angular momentum and non-destructive mergers between exceptionally gas-rich progenitor galaxies.","lang":"eng"}],"quality_controlled":"1","type":"journal_article","OA_place":"publisher","date_published":"2025-03-17T00:00:00Z","intvolume":" 9","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["520"],"year":"2025","author":[{"full_name":"Wang, Weichen","last_name":"Wang","first_name":"Weichen"},{"full_name":"Cantalupo, Sebastiano","last_name":"Cantalupo","first_name":"Sebastiano"},{"last_name":"Pensabene","full_name":"Pensabene, Antonio","first_name":"Antonio"},{"first_name":"Marta","full_name":"Galbiati, Marta","last_name":"Galbiati"},{"first_name":"Andrea","full_name":"Travascio, Andrea","last_name":"Travascio"},{"last_name":"Steidel","full_name":"Steidel, Charles C.","first_name":"Charles C."},{"last_name":"Maseda","full_name":"Maseda, Michael V.","first_name":"Michael V."},{"first_name":"Gabriele","full_name":"Pezzulli, Gabriele","last_name":"Pezzulli"},{"last_name":"De Beer","full_name":"De Beer, Stephanie","first_name":"Stephanie"},{"first_name":"Matteo","last_name":"Fossati","full_name":"Fossati, Matteo"},{"first_name":"Michele","full_name":"Fumagalli, Michele","last_name":"Fumagalli"},{"full_name":"Gallego, Sofia G.","last_name":"Gallego","first_name":"Sofia G."},{"first_name":"Titouan","last_name":"Lazeyras","full_name":"Lazeyras, Titouan"},{"first_name":"Ruari","last_name":"Mackenzie","full_name":"Mackenzie, Ruari"},{"full_name":"Matthee, Jorryt J","last_name":"Matthee","orcid":"0000-0003-2871-127X","first_name":"Jorryt J","id":"7439a258-f3c0-11ec-9501-9df22fe06720"},{"first_name":"Themiya","full_name":"Nanayakkara, Themiya","last_name":"Nanayakkara"},{"first_name":"Giada","full_name":"Quadri, Giada","last_name":"Quadri"}],"volume":9,"department":[{"_id":"JoMa"}],"month":"03","article_type":"original","doi":"10.1038/s41550-025-02500-2","oa":1,"acknowledgement":"We thank B. Wang, P. Madau, M. Dotti, A. de la Vega, Y. Guo, C. Bacchini, Z. Cai, C. Conselice, A. Dekel, S. Faber, F. Fraternali, L. Ho, F. Jiang, S. Kassin, D. Koo, N. Mandelker, S. Mao and D. Xu for the valuable and insightful discussions regarding the research topics relevant to this paper. This project was supported by the European Research Council (ERC) Consolidator Grant no. 864361 (CosmicWeb). A.P. acknowledges the support from Fondazione Cariplo grant no. 2020-0902. M.V.M. acknowledges funding from NASA by means of HST-GO-17065. T.N. acknowledges support from Australian Research Council Laureate Fellowship FL180100060. This work is based in part on observations made with the NASA/ESA/CSA James Webb Space Telescope. The data were obtained from the Mikulski Archive for Space Telescopes at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-03127 for JWST. These observations are associated with programme no. 1835. Support for programme no. 1835 was provided by NASA through a grant from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-03127. This research is based on observations made with the NASA/ESA Hubble Space Telescope obtained from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555. These observations are associated with programme 17065. ALMA is a partnership of ESO (representing its member states), NSF (USA) and NINS (Japan), together with NRC (Canada), MOST and ASIAA (Taiwan), and KASI (Republic of Korea), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, AUI/NRAO and NAOJ. The scientific results reported in this article are based in part on observations made by the Chandra X-ray Observatory. This work is also based on observations collected at the European Southern Observatory under ESO programme 110.23ZX.","pmid":1,"article_processing_charge":"No","tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"},"publisher":"Springer Nature","file":[{"content_type":"application/pdf","success":1,"file_size":4912850,"date_created":"2025-08-05T12:49:36Z","access_level":"open_access","creator":"dernst","date_updated":"2025-08-05T12:49:36Z","file_id":"20134","relation":"main_file","checksum":"a0e65fe3374bd755b18ba03fd5e42a3f","file_name":"2025_NatureAstronomy_Wang.pdf"}],"publication_status":"published","date_created":"2025-04-06T22:01:32Z","title":"A giant disk galaxy two billion years after the Big Bang","OA_type":"hybrid","oa_version":"Published Version","publication_identifier":{"eissn":["2397-3366"]},"arxiv":1},{"isi":1,"publication":"Annals of Applied Probability","date_updated":"2025-09-30T11:23:58Z","scopus_import":"1","ec_funded":1,"issue":"1","status":"public","page":"635-700","citation":{"apa":"Agresti, A., Hieber, M., Hussein, A., & Saal, M. (2025). The stochastic primitive equations with nonisothermal turbulent pressure. Annals of Applied Probability. Institute of Mathematical Statistics. https://doi.org/10.1214/24-AAP2124","mla":"Agresti, Antonio, et al. “The Stochastic Primitive Equations with Nonisothermal Turbulent Pressure.” Annals of Applied Probability, vol. 35, no. 1, Institute of Mathematical Statistics, 2025, pp. 635–700, doi:10.1214/24-AAP2124.","short":"A. Agresti, M. Hieber, A. Hussein, M. Saal, Annals of Applied Probability 35 (2025) 635–700.","ieee":"A. Agresti, M. Hieber, A. Hussein, and M. Saal, “The stochastic primitive equations with nonisothermal turbulent pressure,” Annals of Applied Probability, vol. 35, no. 1. Institute of Mathematical Statistics, pp. 635–700, 2025.","chicago":"Agresti, Antonio, Matthias Hieber, Amru Hussein, and Martin Saal. “The Stochastic Primitive Equations with Nonisothermal Turbulent Pressure.” Annals of Applied Probability. Institute of Mathematical Statistics, 2025. https://doi.org/10.1214/24-AAP2124.","ama":"Agresti A, Hieber M, Hussein A, Saal M. The stochastic primitive equations with nonisothermal turbulent pressure. Annals of Applied Probability. 2025;35(1):635-700. doi:10.1214/24-AAP2124","ista":"Agresti A, Hieber M, Hussein A, Saal M. 2025. The stochastic primitive equations with nonisothermal turbulent pressure. Annals of Applied Probability. 35(1), 635–700."},"day":"01","type":"journal_article","quality_controlled":"1","_id":"19505","language":[{"iso":"eng"}],"abstract":[{"text":"In this paper, we introduce and study the primitive equations with non-isothermal turbulent pressure and transport noise. They are derived from the Navier–Stokes equations by employing stochastic versions of the Boussinesq and the hydrostatic approximations. The temperature dependence of the turbulent pressure can be seen as a consequence of an additive noise acting on the small vertical dynamics. For such a model we prove global well-posedness in H^1 where the noise is considered in both the Itô and Stratonovich formulations. Compared to previous variants of the primitive equations, the one considered here presents a more intricate coupling between the velocity field and the temperature. The corresponding analysis is seriously more involved than in the deterministic setting. Finally, the continuous dependence on the initial data and the energy estimates proven here are new, even in the case of isothermal turbulent pressure.","lang":"eng"}],"external_id":{"arxiv":["2210.05973"],"isi":["001434322900016"]},"main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2210.05973","open_access":"1"}],"date_published":"2025-02-01T00:00:00Z","OA_place":"repository","year":"2025","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","intvolume":" 35","project":[{"name":"Bridging Scales in Random Materials","call_identifier":"H2020","_id":"0aa76401-070f-11eb-9043-b5bb049fa26d","grant_number":"948819"}],"article_type":"original","month":"02","department":[{"_id":"JuFi"}],"volume":35,"author":[{"orcid":"0000-0002-9573-2962","id":"673cd0cc-9b9a-11eb-b144-88f30e1fbb72","first_name":"Antonio","full_name":"Agresti, Antonio","last_name":"Agresti"},{"first_name":"Matthias","full_name":"Hieber, Matthias","last_name":"Hieber"},{"last_name":"Hussein","full_name":"Hussein, Amru","first_name":"Amru"},{"first_name":"Martin","last_name":"Saal","full_name":"Saal, Martin"}],"acknowledgement":"The first author thanks Umberto Pappalettera for helpful suggestions on Section 2 and for bringing to his attention the reference [56]. The first author is grateful to Marco Romito for helpful comments related to Remarks 2.1 and 2.2. Finally, the first author thanks Caterina Balzotti for her support in creating the picture.\r\nAntonio Agresti has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 948819). Antonio Agresti is a member of GNAMPA (INδAM).\r\nMatthias Hieber gratefully acknowledges the support by the Deutsche Forschungsgemeinschaft (DFG) through the Research Unit 5528—project number 500072446.\r\nAmru Hussein has been supported by Deutsche Forschungsgemeinschaft (DFG)—project\r\nnumber 508634462 and by MathApp—Mathematics Applied to Real-World Problems—part\r\nof the Research Initiative of the Federal State of Rhineland-Palatinate, Germany.\r\nMartin Saal has been supported by Deutsche Forschungsgemeinschaft (DFG)—project\r\nnumber 429483464.","doi":"10.1214/24-AAP2124","oa":1,"publisher":"Institute of Mathematical Statistics","article_processing_charge":"No","publication_status":"published","oa_version":"Preprint","OA_type":"green","date_created":"2025-04-06T22:01:32Z","title":"The stochastic primitive equations with nonisothermal turbulent pressure","publication_identifier":{"issn":["1050-5164"]},"arxiv":1},{"OA_type":"hybrid","oa_version":"Published Version","date_created":"2025-04-06T22:01:32Z","title":"Sleep stages antagonistically modulate reactivation drift","publication_identifier":{"eissn":["1097-4199"],"issn":["0896-6273"]},"file":[{"access_level":"open_access","content_type":"application/pdf","success":1,"date_created":"2025-08-05T12:43:44Z","file_size":27047730,"checksum":"5e57852a45a78a751dd3a5e807bf015f","file_name":"2025_Neuron_Bollmann.pdf","file_id":"20133","date_updated":"2025-08-05T12:43:44Z","creator":"dernst","relation":"main_file"}],"publication_status":"published","pmid":1,"publisher":"Elsevier","article_processing_charge":"Yes (via OA deal)","corr_author":"1","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"department":[{"_id":"JoCs"}],"month":"05","project":[{"name":"Memory-related information processing in neuronal circuits of the hippocampus and entorhinal cortex","_id":"257A4776-B435-11E9-9278-68D0E5697425","call_identifier":"FP7","grant_number":"281511"},{"grant_number":"I 3713-B27","call_identifier":"FWF","_id":"2654F984-B435-11E9-9278-68D0E5697425","name":"Interneuro plasticity during spatial learning"}],"article_type":"original","author":[{"id":"47AD3038-F248-11E8-B48F-1D18A9856A87","first_name":"Lars","full_name":"Bollmann, Lars","last_name":"Bollmann"},{"last_name":"Baracskay","full_name":"Baracskay, Peter","first_name":"Peter","id":"361CC00E-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Stella, Federico","last_name":"Stella","first_name":"Federico","id":"39AF1E74-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-9439-3148"},{"id":"3FA14672-F248-11E8-B48F-1D18A9856A87","first_name":"Jozsef L","orcid":"0000-0002-5193-4036","full_name":"Csicsvari, Jozsef L","last_name":"Csicsvari"}],"volume":113,"doi":"10.1016/j.neuron.2025.02.025","oa":1,"acknowledgement":"We thank Andrea Cumpelik, Lisa Genzel, and Freya Ólafsdóttir for comments on an earlier version of the manuscript. This work was supported by the European Research Council (281511) and Austrian Science Fund (FWF I3713).","OA_place":"publisher","date_published":"2025-05-07T00:00:00Z","ddc":["570"],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","year":"2025","intvolume":" 113","day":"07","citation":{"apa":"Bollmann, L., Baracskay, P., Stella, F., & Csicsvari, J. L. (2025). Sleep stages antagonistically modulate reactivation drift. Neuron. Elsevier. https://doi.org/10.1016/j.neuron.2025.02.025","mla":"Bollmann, Lars, et al. “Sleep Stages Antagonistically Modulate Reactivation Drift.” Neuron, vol. 113, no. 9, Elsevier, 2025, p. 1446–1459.e6, doi:10.1016/j.neuron.2025.02.025.","short":"L. Bollmann, P. Baracskay, F. Stella, J.L. Csicsvari, Neuron 113 (2025) 1446–1459.e6.","ieee":"L. Bollmann, P. Baracskay, F. Stella, and J. L. Csicsvari, “Sleep stages antagonistically modulate reactivation drift,” Neuron, vol. 113, no. 9. Elsevier, p. 1446–1459.e6, 2025.","chicago":"Bollmann, Lars, Peter Baracskay, Federico Stella, and Jozsef L Csicsvari. “Sleep Stages Antagonistically Modulate Reactivation Drift.” Neuron. Elsevier, 2025. https://doi.org/10.1016/j.neuron.2025.02.025.","ama":"Bollmann L, Baracskay P, Stella F, Csicsvari JL. Sleep stages antagonistically modulate reactivation drift. Neuron. 2025;113(9):1446-1459.e6. doi:10.1016/j.neuron.2025.02.025","ista":"Bollmann L, Baracskay P, Stella F, Csicsvari JL. 2025. Sleep stages antagonistically modulate reactivation drift. Neuron. 113(9), 1446–1459.e6."},"has_accepted_license":"1","quality_controlled":"1","type":"journal_article","external_id":{"isi":["001510440400001"],"pmid":["40132588"]},"_id":"19506","abstract":[{"lang":"eng","text":"Hippocampal reactivation of waking neuronal assemblies in sleep is a key initial step of systems consolidation. Nevertheless, it is unclear whether reactivated assemblies are static or whether they reorganize gradually over prolonged sleep. We tracked reactivated CA1 assembly patterns over ∼20 h of sleep/rest periods and related them to assemblies seen before or after in a spatial learning paradigm using rats. We found that reactivated assembly patterns were gradually transformed and started to resemble those seen in the subsequent recall session. Periods of rapid eye movement (REM) sleep and non-REM (NREM) had antagonistic roles: whereas NREM accelerated the assembly drift, REM countered it. Moreover, only a subset of rate-changing pyramidal cells contributed to the drift, whereas stable-firing-rate cells maintained unaltered reactivation patterns. Our data suggest that prolonged sleep promotes the spontaneous reorganization of spatial assemblies, which can contribute to daily cognitive map changes or encoding new learning situations."}],"language":[{"iso":"eng"}],"scopus_import":"1","issue":"9","ec_funded":1,"page":"1446-1459.e6","status":"public","PlanS_conform":"1","isi":1,"date_updated":"2025-09-30T11:22:53Z","publication":"Neuron","file_date_updated":"2025-08-05T12:43:44Z"},{"page":"2191-2202.e5","status":"public","scopus_import":"1","issue":"9","file_date_updated":"2025-12-29T14:13:01Z","isi":1,"date_updated":"2025-12-29T14:13:43Z","publication":"Journal of Investigative Dermatology","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","ddc":["570"],"year":"2025","intvolume":" 145","OA_place":"publisher","date_published":"2025-09-01T00:00:00Z","quality_controlled":"1","type":"journal_article","external_id":{"pmid":["40010488"],"isi":["001604396400001"]},"abstract":[{"text":"The epidermis provides a protective barrier against hostile environments. However, our knowledge of how this barrier forms during development and is subsequently maintained remains incomplete. The infundibulum is a cylindrical epidermal tissue compartment that serves as an outlet for hair follicles protruding from the skin and the excretion of the sebaceous glands that are essential for proper skin function. In this study, we applied quantitative fate mapping to address how infundibulum are maintained during adulthood. We demonstrate that progenitors build and maintain tissues through stochastic cell fate choices. Long-term analysis identified a preferential transient contribution from cells initially located at the bottom of the structure to the maintenance of the tissue, with bursts of local progenitor expansion associated with the phases of hair growth. Beyond providing compartment-wide insights into progenitor cell dynamics in infundibulum, these findings demonstrate how spatiotemporal regulation controls transient progenitor dominance.","lang":"eng"}],"_id":"19507","language":[{"iso":"eng"}],"day":"01","citation":{"chicago":"Andersen, Marianne S., Svetlana Ulyanchenko, Pawel J. Schweiger, Edouard B Hannezo, Benjamin D. Simons, and Kim B. Jensen. “Spatiotemporal Switches in Progenitor Cell Fate Govern Upper Hair Follicle Growth and Maintenance.” Journal of Investigative Dermatology. Elsevier, 2025. https://doi.org/10.1016/j.jid.2025.01.034.","ista":"Andersen MS, Ulyanchenko S, Schweiger PJ, Hannezo EB, Simons BD, Jensen KB. 2025. Spatiotemporal switches in progenitor cell fate govern upper hair follicle growth and maintenance. Journal of Investigative Dermatology. 145(9), 2191–2202.e5.","ama":"Andersen MS, Ulyanchenko S, Schweiger PJ, Hannezo EB, Simons BD, Jensen KB. Spatiotemporal switches in progenitor cell fate govern upper hair follicle growth and maintenance. Journal of Investigative Dermatology. 2025;145(9):2191-2202.e5. doi:10.1016/j.jid.2025.01.034","apa":"Andersen, M. S., Ulyanchenko, S., Schweiger, P. J., Hannezo, E. B., Simons, B. D., & Jensen, K. B. (2025). Spatiotemporal switches in progenitor cell fate govern upper hair follicle growth and maintenance. Journal of Investigative Dermatology. Elsevier. https://doi.org/10.1016/j.jid.2025.01.034","short":"M.S. Andersen, S. Ulyanchenko, P.J. Schweiger, E.B. Hannezo, B.D. Simons, K.B. Jensen, Journal of Investigative Dermatology 145 (2025) 2191–2202.e5.","ieee":"M. S. Andersen, S. Ulyanchenko, P. J. Schweiger, E. B. Hannezo, B. D. Simons, and K. B. Jensen, “Spatiotemporal switches in progenitor cell fate govern upper hair follicle growth and maintenance,” Journal of Investigative Dermatology, vol. 145, no. 9. Elsevier, p. 2191–2202.e5, 2025.","mla":"Andersen, Marianne S., et al. “Spatiotemporal Switches in Progenitor Cell Fate Govern Upper Hair Follicle Growth and Maintenance.” Journal of Investigative Dermatology, vol. 145, no. 9, Elsevier, 2025, p. 2191–2202.e5, doi:10.1016/j.jid.2025.01.034."},"has_accepted_license":"1","publisher":"Elsevier","article_processing_charge":"No","corr_author":"1","tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"},"pmid":1,"doi":"10.1016/j.jid.2025.01.034","oa":1,"acknowledgement":"We thank the members of the Jensen Laboratory for experimental and technical advice, the imaging facilities at reNEW, and animal caretakers for expert assistance. This work was supported by the Lundbeck Foundation (R105-A9755 to KBJ) and the Leo Pharma Foundation (LF-OC-20-000169). The Novo Nordisk Foundation Center for Stem Cell Medicine was supported by a Novo Nordisk Foundation grant (NNF21CC0073729). B.D.S. was supported by the Wellcome Trust (219478/Z/19/Z) and a Royal Society EP Abraham Research Professorship (RP/R1/180165 and RP\\R\\231004). Figure elements were adapted from Bio-Render. KBJ is the lead contact and guarantor of this study.","department":[{"_id":"EdHa"}],"month":"09","article_type":"original","volume":145,"author":[{"full_name":"Andersen, Marianne S.","last_name":"Andersen","first_name":"Marianne S."},{"first_name":"Svetlana","last_name":"Ulyanchenko","full_name":"Ulyanchenko, Svetlana"},{"last_name":"Schweiger","full_name":"Schweiger, Pawel J.","first_name":"Pawel J."},{"last_name":"Hannezo","full_name":"Hannezo, Edouard B","id":"3A9DB764-F248-11E8-B48F-1D18A9856A87","first_name":"Edouard B","orcid":"0000-0001-6005-1561"},{"first_name":"Benjamin D.","full_name":"Simons, Benjamin D.","last_name":"Simons"},{"last_name":"Jensen","full_name":"Jensen, Kim B.","first_name":"Kim B."}],"publication_identifier":{"eissn":["1523-1747"],"issn":["0022-202X"]},"OA_type":"hybrid","oa_version":"Published Version","title":"Spatiotemporal switches in progenitor cell fate govern upper hair follicle growth and maintenance","date_created":"2025-04-06T22:01:32Z","publication_status":"published","file":[{"relation":"main_file","file_id":"20874","date_updated":"2025-12-29T14:13:01Z","creator":"dernst","file_name":"2025_JourInvestigativeDerma_Andersen.pdf","checksum":"a2b313de3cacb53f20f2b91c42612ad9","file_size":7301679,"date_created":"2025-12-29T14:13:01Z","success":1,"content_type":"application/pdf","access_level":"open_access"}]},{"acknowledgement":"The authors would like to thank the Ministry of National Education of Republic of Türkiye within the scope of the YLSY scholarship program for funding (AO). This article is based upon work from COST Action CA20121, supported by COST (European Cooperation in Science and Technology) (www.cost.eu) (https://benbedphar.org/about-benbedphar/). The molecular dynamics simulations reported in this paper were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources). The authors thank Dr Sharad Mistry for his support in acquiring and processing the MS data.","oa":1,"doi":"10.1038/s41598-025-89342-0","article_type":"original","month":"03","department":[{"_id":"LeSa"}],"volume":15,"author":[{"last_name":"Ozleyen","full_name":"Ozleyen, Adem","first_name":"Adem"},{"first_name":"Gizem Nur","last_name":"Duran","full_name":"Duran, Gizem Nur"},{"full_name":"Dönmez, Serhat","last_name":"Dönmez","first_name":"Serhat","id":"7c624079-3200-11ee-973b-9fcc8a575580"},{"first_name":"Mehmet","full_name":"Ozbil, Mehmet","last_name":"Ozbil"},{"first_name":"Richard G.","full_name":"Doveston, Richard G.","last_name":"Doveston"},{"full_name":"Tumer, Tugba Boyunegmez","last_name":"Tumer","first_name":"Tugba Boyunegmez"}],"publisher":"Springer Nature","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"article_processing_charge":"Yes","pmid":1,"publication_status":"published","file":[{"file_name":"2025_ScientificReports_Ozleyen.pdf","checksum":"6124a10402a67b66364cfa9350d35b4b","file_id":"19537","creator":"dernst","relation":"main_file","date_updated":"2025-04-10T06:21:11Z","access_level":"open_access","file_size":5333058,"date_created":"2025-04-10T06:21:11Z","success":1,"content_type":"application/pdf"}],"publication_identifier":{"eissn":["2045-2322"]},"oa_version":"Published Version","OA_type":"gold","title":"Identification and inhibition of PIN1-NRF2 protein–protein interactions through computational and biophysical approaches","date_created":"2025-04-08T11:12:20Z","file_date_updated":"2025-04-10T06:21:11Z","isi":1,"date_updated":"2025-09-30T11:33:37Z","publication":"Scientific Reports","status":"public","scopus_import":"1","DOAJ_listed":"1","type":"journal_article","quality_controlled":"1","_id":"19529","abstract":[{"lang":"eng","text":"NRF2 is a transcription factor responsible for coordinating the expression of over a thousand cytoprotective genes. Although NRF2 is constitutively expressed, its stability is modulated by the redox-sensitive protein KEAP1 and other conditional binding partner regulators. The new era of NRF2 research has highlighted the cooperation between NRF2 and PIN1 in modifying its cytoprotective effect. Despite numerous studies, the understanding of the PIN1-NRF2 interaction remains limited. Herein, we described the binding interaction of PIN1 and three different 14-mer long phospho-peptides mimicking NRF2 protein using computer-based, biophysical, and biochemical approaches. According to our computational analyses, the residues positioned in the WW domain of PIN1 (Ser16, Arg17, Ser18, Tyr23, Ser32, Gln33, and Trp34) were found to be crucial for PIN1-NRF2 interactions. Biophysical FP assays were used to verify the computational prediction. The data demonstrated that Pintide, a peptide predominantly interacting with the PIN1 WW-domain, led to a significant reduction in the binding affinity of the NRF2 mimicking peptides. Moreover, we evaluated the impact of known PIN1 inhibitors (juglone, KPT-6566, and EGCG) on the PIN1-NRF2 interaction. Among the inhibitors, KPT-6566 showed the most potent inhibitory effect on PIN1-NRF2 interaction within an IC50 range of 0.3–1.4 µM. Furthermore, our mass spectrometry analyses showed that KPT-6566 appeared to covalently modify PIN1 via conjugate addition, rather than disulfide exchange of the sulfonyl-acetate moiety. Altogether, such inhibitors would also be highly valuable molecular probes for further investigation of PIN1 regulation of NRF2 in the cellular context and potentially pave the way for drug molecules that specifically inhibit the cytoprotective effects of NRF2 in cancer."}],"language":[{"iso":"eng"}],"external_id":{"isi":["001445507400002"],"pmid":["40087364"]},"has_accepted_license":"1","day":"14","citation":{"ama":"Ozleyen A, Duran GN, Dönmez S, Ozbil M, Doveston RG, Tumer TB. Identification and inhibition of PIN1-NRF2 protein–protein interactions through computational and biophysical approaches. Scientific Reports. 2025;15. doi:10.1038/s41598-025-89342-0","ista":"Ozleyen A, Duran GN, Dönmez S, Ozbil M, Doveston RG, Tumer TB. 2025. Identification and inhibition of PIN1-NRF2 protein–protein interactions through computational and biophysical approaches. Scientific Reports. 15, 8907.","chicago":"Ozleyen, Adem, Gizem Nur Duran, Serhat Dönmez, Mehmet Ozbil, Richard G. Doveston, and Tugba Boyunegmez Tumer. “Identification and Inhibition of PIN1-NRF2 Protein–Protein Interactions through Computational and Biophysical Approaches.” Scientific Reports. Springer Nature, 2025. https://doi.org/10.1038/s41598-025-89342-0.","mla":"Ozleyen, Adem, et al. “Identification and Inhibition of PIN1-NRF2 Protein–Protein Interactions through Computational and Biophysical Approaches.” Scientific Reports, vol. 15, 8907, Springer Nature, 2025, doi:10.1038/s41598-025-89342-0.","short":"A. Ozleyen, G.N. Duran, S. Dönmez, M. Ozbil, R.G. Doveston, T.B. Tumer, Scientific Reports 15 (2025).","ieee":"A. Ozleyen, G. N. Duran, S. Dönmez, M. Ozbil, R. G. Doveston, and T. B. Tumer, “Identification and inhibition of PIN1-NRF2 protein–protein interactions through computational and biophysical approaches,” Scientific Reports, vol. 15. Springer Nature, 2025.","apa":"Ozleyen, A., Duran, G. N., Dönmez, S., Ozbil, M., Doveston, R. G., & Tumer, T. B. (2025). Identification and inhibition of PIN1-NRF2 protein–protein interactions through computational and biophysical approaches. Scientific Reports. Springer Nature. https://doi.org/10.1038/s41598-025-89342-0"},"year":"2025","ddc":["570"],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","article_number":"8907","intvolume":" 15","date_published":"2025-03-14T00:00:00Z","OA_place":"publisher"},{"external_id":{"isi":["001459830100002"]},"_id":"19531","language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"In standard quantum electrodynamics (QED), the so-called non-minimal (Pauli) coupling is suppressed for elementary particles and has no physical implications. Here, we show that the Pauli term naturally appears in a known family of Dirac materials—the lead-halide perovskites, suggesting a novel playground for the study of analog QED effects. We outline measurable manifestations of the Pauli term in the phenomena pertaining to (i) relativistic corrections to bound states (ii) the Klein paradox, and (iii) spin effects in scattering. In particular, we demonstrate that (a) the binding energy of an electron in the vicinity of a positively charged defect is noticeably decreased due to the polarizability of lead ions and the appearance of a Darwin-like term, (b) strong spin-orbit coupling due to the Pauli term affects the exciton states, and (c) scattering of an electron off an energy barrier with broken mirror symmetry produces spin polarization in the outgoing current. Our study adds to the understanding of quantum phenomena in lead-halide perovskites and paves the way for tabletop simulations of analog Dirac-Pauli equations."}],"quality_controlled":"1","type":"journal_article","day":"04","citation":{"apa":"Shiva Kumar, A., Maslov, M., Lemeshko, M., Volosniev, A., & Alpichshev, Z. (2025). Massive Dirac-Pauli physics in lead-halide perovskites. Npj Quantum Materials. Springer Nature. https://doi.org/10.1038/s41535-025-00754-7","short":"A. Shiva Kumar, M. Maslov, M. Lemeshko, A. Volosniev, Z. Alpichshev, Npj Quantum Materials 10 (2025).","ieee":"A. Shiva Kumar, M. Maslov, M. Lemeshko, A. Volosniev, and Z. Alpichshev, “Massive Dirac-Pauli physics in lead-halide perovskites,” npj Quantum Materials, vol. 10. Springer Nature, 2025.","mla":"Shiva Kumar, Abhishek, et al. “Massive Dirac-Pauli Physics in Lead-Halide Perovskites.” Npj Quantum Materials, vol. 10, 37, Springer Nature, 2025, doi:10.1038/s41535-025-00754-7.","chicago":"Shiva Kumar, Abhishek, Mikhail Maslov, Mikhail Lemeshko, Artem Volosniev, and Zhanybek Alpichshev. “Massive Dirac-Pauli Physics in Lead-Halide Perovskites.” Npj Quantum Materials. Springer Nature, 2025. https://doi.org/10.1038/s41535-025-00754-7.","ista":"Shiva Kumar A, Maslov M, Lemeshko M, Volosniev A, Alpichshev Z. 2025. Massive Dirac-Pauli physics in lead-halide perovskites. npj Quantum Materials. 10, 37.","ama":"Shiva Kumar A, Maslov M, Lemeshko M, Volosniev A, Alpichshev Z. Massive Dirac-Pauli physics in lead-halide perovskites. npj Quantum Materials. 2025;10. doi:10.1038/s41535-025-00754-7"},"has_accepted_license":"1","intvolume":" 10","article_number":"37","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["530"],"year":"2025","OA_place":"publisher","date_published":"2025-04-04T00:00:00Z","file_date_updated":"2025-04-10T06:12:49Z","date_updated":"2025-09-30T11:32:32Z","publication":"npj Quantum Materials","isi":1,"status":"public","DOAJ_listed":"1","scopus_import":"1","publication_status":"published","file":[{"file_name":"2025_njpQuantumMaterials_Kumar.pdf","checksum":"08b1a94b362bb65482887e50020810e5","creator":"dernst","date_updated":"2025-04-10T06:12:49Z","relation":"main_file","file_id":"19536","access_level":"open_access","date_created":"2025-04-10T06:12:49Z","file_size":592092,"success":1,"content_type":"application/pdf"}],"publication_identifier":{"eissn":["2397-4648"]},"date_created":"2025-04-08T18:13:06Z","title":"Massive Dirac-Pauli physics in lead-halide perovskites","OA_type":"gold","oa_version":"Published Version","doi":"10.1038/s41535-025-00754-7","oa":1,"author":[{"full_name":"Shiva Kumar, Abhishek","last_name":"Shiva Kumar","id":"5e9a6931-eb97-11eb-a6c2-e96f7058d77a","first_name":"Abhishek"},{"last_name":"Maslov","full_name":"Maslov, Mikhail","first_name":"Mikhail","id":"2E65BB0E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-4074-2570"},{"orcid":"0000-0002-6990-7802","first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","last_name":"Lemeshko","full_name":"Lemeshko, Mikhail"},{"full_name":"Volosniev, Artem","last_name":"Volosniev","id":"37D278BC-F248-11E8-B48F-1D18A9856A87","first_name":"Artem","orcid":"0000-0003-0393-5525"},{"orcid":"0000-0002-7183-5203","first_name":"Zhanybek","id":"45E67A2A-F248-11E8-B48F-1D18A9856A87","last_name":"Alpichshev","full_name":"Alpichshev, Zhanybek"}],"volume":10,"department":[{"_id":"GradSch"},{"_id":"ZhAl"},{"_id":"MiLe"}],"month":"04","article_type":"original","article_processing_charge":"Yes","corr_author":"1","tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode"},"publisher":"Springer Nature","related_material":{"link":[{"url":"https://git.ista.ac.at/mmaslov/dirac_pauli_LHP","relation":"software"}]}},{"publication_status":"published","file":[{"file_name":"2025_JourLondMathSoc_Glasgow.pdf","checksum":"69ce9feaf64e776b99f3afd1041b1b11","creator":"dernst","file_id":"19564","date_updated":"2025-04-15T13:18:43Z","relation":"main_file","access_level":"open_access","file_size":392208,"date_created":"2025-04-15T13:18:43Z","success":1,"content_type":"application/pdf"}],"publication_identifier":{"eissn":["1469-7750"],"issn":["0024-6107"]},"arxiv":1,"OA_type":"hybrid","oa_version":"Published Version","date_created":"2025-04-13T22:01:19Z","title":"A central limit theorem for the matching number of a sparse random graph","doi":"10.1112/jlms.70101","oa":1,"acknowledgement":"We would like to thank Christina Goldschmidt and Eleonora Kreačić for insightful discussions and clarifications about their work in the thesis [26]. Matthew Kwan was supported by ERC Starting Grant ‘RANDSTRUCT’ No. 101076777. Ashwin Sah and Mehtaab Sawhney were supported by NSF Graduate Research Fellowship Program DGE-2141064. Ashwin Sah was supported by the PD Soros Fellowship.\r\nOpen access funding provided by Institute of Science and Technology Austria/KEMÖ.","department":[{"_id":"MaKw"}],"month":"04","project":[{"grant_number":"101076777","_id":"bd95085b-d553-11ed-ba76-e55d3349be45","name":"Randomness and structure in combinatorics"}],"article_type":"original","volume":111,"author":[{"full_name":"Glasgow, Margalit","last_name":"Glasgow","first_name":"Margalit"},{"id":"5fca0887-a1db-11eb-95d1-ca9d5e0453b3","first_name":"Matthew Alan","orcid":"0000-0002-4003-7567","last_name":"Kwan","full_name":"Kwan, Matthew Alan"},{"first_name":"Ashwin","full_name":"Sah, Ashwin","last_name":"Sah"},{"full_name":"Sawhney, Mehtaab","last_name":"Sawhney","first_name":"Mehtaab"}],"publisher":"Wiley","article_processing_charge":"Yes (via OA deal)","corr_author":"1","tmp":{"image":"/images/cc_by_nc.png","short":"CC BY-NC (4.0)","name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode"},"quality_controlled":"1","type":"journal_article","external_id":{"isi":["001473087200024"],"arxiv":["2402.05851"]},"_id":"19554","language":[{"iso":"eng"}],"abstract":[{"text":"In 1981, Karp and Sipser proved a law of large numbers for the matching number of a sparse Erdős–Rényi random graph, in an influential paper pioneering the so-called differential equation method for analysis of random graph processes. Strengthening this classical result, and answering a question of Aronson, Frieze and Pittel, we prove a central limit theorem in the same setting: the fluctuations in the matching number of a sparse random graph are asymptotically Gaussian. Our new contribution is to prove this central limit theorem in the subcritical and critical regimes, according to a celebrated algorithmic phase transition first observed by Karp and Sipser. Indeed, in the supercritical regime, a central limit theorem has recently been proved in the PhD thesis of Kreačić, using a stochastic generalisation of the differential equation method (comparing the so-called Karp–Sipser process to a system of stochastic differential equations). Our proof builds on these methods, and introduces new techniques to handle certain degeneracies present in the subcritical and critical cases. Curiously, our new techniques lead to a non-constructive result: we are able to characterise the fluctuations of the matching number around its mean, despite these fluctuations being much smaller than the error terms in our best estimates of the mean. We also prove a central limit theorem for the rank of the adjacency matrix of a sparse random graph.","lang":"eng"}],"day":"01","citation":{"ama":"Glasgow M, Kwan MA, Sah A, Sawhney M. A central limit theorem for the matching number of a sparse random graph. Journal of the London Mathematical Society. 2025;111(4). doi:10.1112/jlms.70101","ista":"Glasgow M, Kwan MA, Sah A, Sawhney M. 2025. A central limit theorem for the matching number of a sparse random graph. Journal of the London Mathematical Society. 111(4), e70101.","chicago":"Glasgow, Margalit, Matthew Alan Kwan, Ashwin Sah, and Mehtaab Sawhney. “A Central Limit Theorem for the Matching Number of a Sparse Random Graph.” Journal of the London Mathematical Society. Wiley, 2025. https://doi.org/10.1112/jlms.70101.","mla":"Glasgow, Margalit, et al. “A Central Limit Theorem for the Matching Number of a Sparse Random Graph.” Journal of the London Mathematical Society, vol. 111, no. 4, e70101, Wiley, 2025, doi:10.1112/jlms.70101.","short":"M. Glasgow, M.A. Kwan, A. Sah, M. Sawhney, Journal of the London Mathematical Society 111 (2025).","ieee":"M. Glasgow, M. A. Kwan, A. Sah, and M. Sawhney, “A central limit theorem for the matching number of a sparse random graph,” Journal of the London Mathematical Society, vol. 111, no. 4. Wiley, 2025.","apa":"Glasgow, M., Kwan, M. A., Sah, A., & Sawhney, M. (2025). A central limit theorem for the matching number of a sparse random graph. Journal of the London Mathematical Society. Wiley. https://doi.org/10.1112/jlms.70101"},"has_accepted_license":"1","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["510"],"year":"2025","article_number":"e70101","intvolume":" 111","OA_place":"publisher","date_published":"2025-04-01T00:00:00Z","file_date_updated":"2025-04-15T13:18:43Z","isi":1,"date_updated":"2025-09-30T11:35:55Z","publication":"Journal of the London Mathematical Society","status":"public","scopus_import":"1","license":"https://creativecommons.org/licenses/by-nc/4.0/","issue":"4"},{"publisher":"Wiley","article_processing_charge":"Yes (in subscription journal)","tmp":{"short":"CC BY (4.0)","image":"/images/cc_by.png","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"corr_author":"1","pmid":1,"oa":1,"doi":"10.1002/chem.202500408","acknowledgement":"We thank Lea Marie Becker for assistance with python scripts used to analyze the labeling efficiency, and Undina Guillerm, Rajkumar Singh, and Anna Kapitonova for help with protein production. This work was supported by the Austrian Science Fund (FWF; project number I5812-B) through a French-Austrian bi-national research project. We thank the Scientific Service Units (SSU) of Institute of Science and Technology Austria (ISTA) through resources provided by the NMR Facility, as well as the NMR center and MS center of the University of Vienna.","month":"04","department":[{"_id":"PaSc"}],"project":[{"name":"AlloSpace. The emergence and mechanisms of allostery","grant_number":"I05812","_id":"eb9c82eb-77a9-11ec-83b8-aadd536561cf"}],"article_type":"original","volume":31,"author":[{"last_name":"Rohden","full_name":"Rohden, Darja","first_name":"Darja","id":"81dc668a-19fa-11f0-bf31-d56534059ef3"},{"first_name":"Giorgia","full_name":"Toscano, Giorgia","last_name":"Toscano"},{"full_name":"Schanda, Paul","last_name":"Schanda","first_name":"Paul","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606"},{"first_name":"Roman J.","last_name":"Lichtenecker","full_name":"Lichtenecker, Roman J."}],"publication_identifier":{"issn":["0947-6539"],"eissn":["1521-3765"]},"OA_type":"hybrid","oa_version":"Published Version","date_created":"2025-04-13T22:01:19Z","title":"Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy","publication_status":"published","file":[{"access_level":"open_access","success":1,"content_type":"application/pdf","file_size":2840681,"date_created":"2025-08-05T12:59:24Z","checksum":"e3788628644b5aac666cf079b05f8fa7","file_name":"2025_ChemistryEur_Rohden.pdf","date_updated":"2025-08-05T12:59:24Z","creator":"dernst","file_id":"20136","relation":"main_file"}],"status":"public","PlanS_conform":"1","scopus_import":"1","issue":"24","file_date_updated":"2025-08-05T12:59:24Z","isi":1,"acknowledged_ssus":[{"_id":"NMR"}],"publication":"Chemistry - A European Journal","date_updated":"2025-09-30T11:35:05Z","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","ddc":["540"],"year":"2025","article_number":"e202500408","intvolume":" 31","OA_place":"publisher","date_published":"2025-04-25T00:00:00Z","quality_controlled":"1","type":"journal_article","external_id":{"isi":["001479486400019"],"pmid":["40080421"]},"abstract":[{"text":"The charged arginine side chain is unique in determining many innate properties of proteins, contributing to stability and interaction surfaces, and directing allosteric regulation and enzymatic catalysis. NMR experiments can be used to reveal these processes at the molecular level, but it often requires selective insertion of carbon-13, nitrogen-15, and deuterium at defined atomic positions. We introduce a method to endow arginine residues with defined isotope patterns, combining synthetic organic chemistry and cell-based protein overexpression. The resulting proteins feature NMR active spin systems with optimized relaxation pathways leading to simplified NMR spectra with a sensitive response to changes in the chemical environment of the nuclei observed.","lang":"eng"}],"_id":"19555","language":[{"iso":"eng"}],"day":"25","citation":{"chicago":"Rohden, Darja, Giorgia Toscano, Paul Schanda, and Roman J. Lichtenecker. “Synthesis of Selectively 13C/2H/15N- Labeled Arginine to Probe Protein Conformation and Interaction by NMR Spectroscopy.” Chemistry - A European Journal. Wiley, 2025. https://doi.org/10.1002/chem.202500408.","ista":"Rohden D, Toscano G, Schanda P, Lichtenecker RJ. 2025. Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy. Chemistry - A European Journal. 31(24), e202500408.","ama":"Rohden D, Toscano G, Schanda P, Lichtenecker RJ. Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy. Chemistry - A European Journal. 2025;31(24). doi:10.1002/chem.202500408","apa":"Rohden, D., Toscano, G., Schanda, P., & Lichtenecker, R. J. (2025). Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy. Chemistry - A European Journal. Wiley. https://doi.org/10.1002/chem.202500408","ieee":"D. Rohden, G. Toscano, P. Schanda, and R. J. Lichtenecker, “Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy,” Chemistry - A European Journal, vol. 31, no. 24. Wiley, 2025.","short":"D. Rohden, G. Toscano, P. Schanda, R.J. Lichtenecker, Chemistry - A European Journal 31 (2025).","mla":"Rohden, Darja, et al. “Synthesis of Selectively 13C/2H/15N- Labeled Arginine to Probe Protein Conformation and Interaction by NMR Spectroscopy.” Chemistry - A European Journal, vol. 31, no. 24, e202500408, Wiley, 2025, doi:10.1002/chem.202500408."},"has_accepted_license":"1"},{"article_type":"original","department":[{"_id":"JaMa"}],"month":"05","author":[{"full_name":"Auricchio, Gennaro","last_name":"Auricchio","first_name":"Gennaro"},{"first_name":"Giovanni","id":"63ff57e8-1fbb-11ee-88f2-f558ffc59cf1","last_name":"Brigati","full_name":"Brigati, Giovanni"},{"first_name":"Paolo","last_name":"Giudici","full_name":"Giudici, Paolo"},{"full_name":"Toscani, Giuseppe","last_name":"Toscani","first_name":"Giuseppe"}],"volume":35,"doi":"10.1142/s0218202525500174","oa":1,"publisher":"World Scientific Publishing","article_processing_charge":"No","publication_status":"published","oa_version":"Preprint","OA_type":"green","title":"Multivariate Gini-type discrepancies","date_created":"2025-04-15T13:34:00Z","publication_identifier":{"eissn":["1793-6314"],"issn":["0218-2025"]},"arxiv":1,"isi":1,"date_updated":"2025-09-30T11:36:56Z","publication":"Mathematical Models and Methods in Applied Sciences","scopus_import":"1","issue":"5","page":"1267-1296","status":"public","citation":{"short":"G. Auricchio, G. Brigati, P. Giudici, G. Toscani, Mathematical Models and Methods in Applied Sciences 35 (2025) 1267–1296.","ieee":"G. Auricchio, G. Brigati, P. Giudici, and G. Toscani, “Multivariate Gini-type discrepancies,” Mathematical Models and Methods in Applied Sciences, vol. 35, no. 5. World Scientific Publishing, pp. 1267–1296, 2025.","mla":"Auricchio, Gennaro, et al. “Multivariate Gini-Type Discrepancies.” Mathematical Models and Methods in Applied Sciences, vol. 35, no. 5, World Scientific Publishing, 2025, pp. 1267–96, doi:10.1142/s0218202525500174.","apa":"Auricchio, G., Brigati, G., Giudici, P., & Toscani, G. (2025). Multivariate Gini-type discrepancies. Mathematical Models and Methods in Applied Sciences. World Scientific Publishing. https://doi.org/10.1142/s0218202525500174","ista":"Auricchio G, Brigati G, Giudici P, Toscani G. 2025. Multivariate Gini-type discrepancies. Mathematical Models and Methods in Applied Sciences. 35(5), 1267–1296.","ama":"Auricchio G, Brigati G, Giudici P, Toscani G. Multivariate Gini-type discrepancies. Mathematical Models and Methods in Applied Sciences. 2025;35(5):1267-1296. doi:10.1142/s0218202525500174","chicago":"Auricchio, Gennaro, Giovanni Brigati, Paolo Giudici, and Giuseppe Toscani. “Multivariate Gini-Type Discrepancies.” Mathematical Models and Methods in Applied Sciences. World Scientific Publishing, 2025. https://doi.org/10.1142/s0218202525500174."},"day":"01","type":"journal_article","quality_controlled":"1","_id":"19565","abstract":[{"text":"Measuring distances in a multidimensional setting is a challenging problem, which appears in many fields of science and engineering. In this paper, to measure the distance between two multivariate distributions, we introduce a new measure of discrepancy which is scale invariant and which, in the case of two independent copies of the same distribution, and after normalization, coincides with the scaling invariant multidimensional version of the Gini index recently proposed in [P. Giudici, E. Raffinetti and G. Toscani, Measuring multidimensional inequality: A new proposal based on the Fourier transform, preprint (2024), arXiv:2401.14012 ]. A byproduct of the analysis is an easy-to-handle discrepancy metric, obtained by application of the theory to a pair of Gaussian multidimensional densities. The obtained metric does improve the standard metrics, based on the mean squared error, as it is scale invariant. The importance of this theoretical finding is illustrated by means of a real problem that concerns measuring the importance of Environmental, Social and Governance factors for the growth of small and medium enterprises. ","lang":"eng"}],"language":[{"iso":"eng"}],"external_id":{"isi":["001456337300001"],"arxiv":["2411.01052"]},"main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2411.01052","open_access":"1"}],"date_published":"2025-05-01T00:00:00Z","OA_place":"repository","year":"2025","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","intvolume":" 35"},{"status":"public","scopus_import":"1","ec_funded":1,"isi":1,"publication":"Remote Sensing of Environment","date_updated":"2025-12-30T08:15:35Z","year":"2025","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","ddc":["550"],"intvolume":" 324","article_number":"114761","date_published":"2025-07-01T00:00:00Z","type":"journal_article","quality_controlled":"1","language":[{"iso":"eng"}],"_id":"19585","abstract":[{"lang":"eng","text":"Air quality in northern South America faces significant challenges due to insufficient high-resolution emission inventories and sparse atmospheric studies. This study addresses these gaps by developing a novel framework that integrates high-resolution nighttime light data from SDGSAT-1 and multisource remote sensing datasets with deep learning techniques to downscale emission inventories. The refined inventories are coupled with meteorological inputs into the Weather Research and Forecasting (WRF-Chem) model, enabling precise simulation of pollutant dynamics. Validated against ground measurements from Colombia's SISAIRE monitoring network, demonstrates significant improvements in spatiotemporal accuracy, particularly for particulate matter (PM) and nitrogen dioxide (NO₂) with error reductions of 22–30 % and correlation coefficients increasing from 0.68 to 0.85. These findings underscore the critical role of satellite-enhanced inventories in resolving localized emission patterns and seasonal variability, such as dry-season PM₁₀ spikes (150 % increase from wildfires). The framework provides policymakers with actionable insights to prioritize mitigation in rapidly urbanizing regions and manage transboundary pollution. By bridging data scarcity gaps, this replicable methodology offers transformative potential for global air quality management and public health protection, advocating for expanded ground monitoring networks and real-time satellite data integration in future applications."}],"external_id":{"isi":["001475174300001"]},"has_accepted_license":"1","day":"01","citation":{"apa":"Antezana-Lopez, F., Casallas Garcia, A., Zhou, G., Zhang, K., Jing, G., Ali, A., … Jiang, H. (2025). High-resolution anthropogenic emission inventories with deep learning in northern South America. Remote Sensing of Environment. Elsevier. https://doi.org/10.1016/j.rse.2025.114761","ieee":"F. Antezana-Lopez et al., “High-resolution anthropogenic emission inventories with deep learning in northern South America,” Remote Sensing of Environment, vol. 324. Elsevier, 2025.","short":"F. Antezana-Lopez, A. Casallas Garcia, G. Zhou, K. Zhang, G. Jing, A. Ali, E. Lopez-Barrera, L.C. Belalcazar, N. Rojas, H. Jiang, Remote Sensing of Environment 324 (2025).","mla":"Antezana-Lopez, Franz, et al. “High-Resolution Anthropogenic Emission Inventories with Deep Learning in Northern South America.” Remote Sensing of Environment, vol. 324, 114761, Elsevier, 2025, doi:10.1016/j.rse.2025.114761.","chicago":"Antezana-Lopez, Franz, Alejandro Casallas Garcia, Guanhua Zhou, Kai Zhang, Guifei Jing, Aamir Ali, Ellie Lopez-Barrera, Luis Carlos Belalcazar, Nestor Rojas, and Hongzhi Jiang. “High-Resolution Anthropogenic Emission Inventories with Deep Learning in Northern South America.” Remote Sensing of Environment. Elsevier, 2025. https://doi.org/10.1016/j.rse.2025.114761.","ista":"Antezana-Lopez F, Casallas Garcia A, Zhou G, Zhang K, Jing G, Ali A, Lopez-Barrera E, Belalcazar LC, Rojas N, Jiang H. 2025. High-resolution anthropogenic emission inventories with deep learning in northern South America. Remote Sensing of Environment. 324, 114761.","ama":"Antezana-Lopez F, Casallas Garcia A, Zhou G, et al. High-resolution anthropogenic emission inventories with deep learning in northern South America. Remote Sensing of Environment. 2025;324. doi:10.1016/j.rse.2025.114761"},"publisher":"Elsevier","article_processing_charge":"No","acknowledgement":"This project was supported by the National Natural Science Foundation of China (Grant No. 42471425). The research findings are a component of the SDGSAT-1 Open Science Program, which is conducted by the International Research Center of Big Data for Sustainable Development Goals (CBAS). The data utilized in this study is sourced from SDGSAT-1 and provided by CBAS. Alejandro Casallas was supported by a fellowship awarded by the Abdus Salam International Centre for Theoretical Physics and also by the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101034413. Ellie López-Barrera was supported by project No. IN.BG.086.24.015 from Universidad Sergio Arboleda.","doi":"10.1016/j.rse.2025.114761","project":[{"name":"IST-BRIDGE: International postdoctoral program","grant_number":"101034413","call_identifier":"H2020","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c"}],"article_type":"original","month":"07","department":[{"_id":"CaMu"}],"author":[{"first_name":"Franz","last_name":"Antezana-Lopez","full_name":"Antezana-Lopez, Franz"},{"last_name":"Casallas Garcia","full_name":"Casallas Garcia, Alejandro","id":"92081129-2d75-11ef-a48d-b04dd7a2385a","first_name":"Alejandro","orcid":"0000-0002-1988-5035"},{"last_name":"Zhou","full_name":"Zhou, Guanhua","first_name":"Guanhua"},{"first_name":"Kai","full_name":"Zhang, Kai","last_name":"Zhang"},{"first_name":"Guifei","last_name":"Jing","full_name":"Jing, Guifei"},{"full_name":"Ali, Aamir","last_name":"Ali","first_name":"Aamir"},{"last_name":"Lopez-Barrera","full_name":"Lopez-Barrera, Ellie","first_name":"Ellie"},{"first_name":"Luis Carlos","last_name":"Belalcazar","full_name":"Belalcazar, Luis Carlos"},{"full_name":"Rojas, Nestor","last_name":"Rojas","first_name":"Nestor"},{"full_name":"Jiang, Hongzhi","last_name":"Jiang","first_name":"Hongzhi"}],"volume":324,"publication_identifier":{"eissn":["1879-0704"],"issn":["0034-4257"]},"oa_version":"None","OA_type":"closed access","title":"High-resolution anthropogenic emission inventories with deep learning in northern South America","date_created":"2025-04-17T09:04:17Z","publication_status":"published"},{"publisher":"Elsevier","article_processing_charge":"No","corr_author":"1","pmid":1,"doi":"10.1016/j.devcel.2025.03.012","month":"04","department":[{"_id":"EvBe"}],"article_type":"letter_note","author":[{"first_name":"Eva","id":"38F4F166-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-8510-9739","last_name":"Benková","full_name":"Benková, Eva"}],"volume":60,"publication_identifier":{"issn":["1534-5807"],"eissn":["1878-1551"]},"OA_type":"closed access","oa_version":"None","date_created":"2025-04-20T22:01:28Z","title":"Unlocking plant regeneration: The role for glutathione","publication_status":"published","page":"1137-1139","status":"public","scopus_import":"1","issue":"8","isi":1,"date_updated":"2025-09-30T12:07:36Z","publication":"Developmental Cell","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","year":"2025","intvolume":" 60","date_published":"2025-04-21T00:00:00Z","quality_controlled":"1","type":"journal_article","external_id":{"isi":["001477400800001"],"pmid":["40262524"]},"abstract":[{"lang":"eng","text":"In this issue of Developmental Cell, Lee et al. identify a pivotal role for glutathione (GSH) in plant regeneration, a vital biological process enabling plants to regrow tissues and organs after injury. Applying single-cell RNA sequencing (scRNA-seq) and live imaging, the authors demonstrate that GSH, released upon tissue damage, accelerates cell-cycle transitions, particularly shortening the G1 phase, thereby facilitating efficient organ regeneration."}],"_id":"19594","language":[{"iso":"eng"}],"day":"21","citation":{"chicago":"Benková, Eva. “Unlocking Plant Regeneration: The Role for Glutathione.” Developmental Cell. Elsevier, 2025. https://doi.org/10.1016/j.devcel.2025.03.012.","ista":"Benková E. 2025. Unlocking plant regeneration: The role for glutathione. Developmental Cell. 60(8), 1137–1139.","ama":"Benková E. Unlocking plant regeneration: The role for glutathione. Developmental Cell. 2025;60(8):1137-1139. doi:10.1016/j.devcel.2025.03.012","apa":"Benková, E. (2025). Unlocking plant regeneration: The role for glutathione. Developmental Cell. Elsevier. https://doi.org/10.1016/j.devcel.2025.03.012","ieee":"E. Benková, “Unlocking plant regeneration: The role for glutathione,” Developmental Cell, vol. 60, no. 8. Elsevier, pp. 1137–1139, 2025.","short":"E. Benková, Developmental Cell 60 (2025) 1137–1139.","mla":"Benková, Eva. “Unlocking Plant Regeneration: The Role for Glutathione.” Developmental Cell, vol. 60, no. 8, Elsevier, 2025, pp. 1137–39, doi:10.1016/j.devcel.2025.03.012."}},{"ddc":["000"],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","year":"2025","intvolume":" 162","article_number":"144101","OA_place":"publisher","date_published":"2025-04-14T00:00:00Z","quality_controlled":"1","type":"journal_article","external_id":{"isi":["001466311300030"],"pmid":["40197568"]},"_id":"19595","abstract":[{"lang":"eng","text":"We investigate the locality of magnetic response in polycyclic aromatic molecules using a novel deep-learning approach. Our method employs graph neural networks (GNNs) with a graph-of-rings representation to predict nucleus independent chemical shifts (NICS) in the space around the molecule. We train a series of models, each time reducing the size of the largest molecules used in training. The accuracy of prediction remains high (MAE < 0.5 ppm), even when training the model only on molecules with up to four rings, thus providing strong evidence for the locality of magnetic response. To overcome the known problem of generalization of GNNs, we implement a k-hop expansion strategy and succeed in achieving accurate predictions for molecules with up to 15 rings (almost 4 times the size of the largest training example). Our findings have implications for understanding the magnetic response in complex molecules and demonstrate a promising approach to overcoming GNN scalability limitations. Furthermore, the trained models enable rapid characterization, without the need for more expensive DFT calculations."}],"language":[{"iso":"eng"}],"day":"14","citation":{"apa":"Davidson, Y., Philipp, A., Chakraborty, S., Bronstein, A. M., & Gershoni-Poranne, R. (2025). How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons. Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0257558","ieee":"Y. Davidson, A. Philipp, S. Chakraborty, A. M. Bronstein, and R. Gershoni-Poranne, “How local is ‘local’? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons,” Journal of Chemical Physics, vol. 162, no. 14. AIP Publishing, 2025.","short":"Y. Davidson, A. Philipp, S. Chakraborty, A.M. Bronstein, R. Gershoni-Poranne, Journal of Chemical Physics 162 (2025).","mla":"Davidson, Yair, et al. “How Local Is ‘Local’? Deep Learning Reveals Locality of the Induced Magnetic Field of Polycyclic Aromatic Hydrocarbons.” Journal of Chemical Physics, vol. 162, no. 14, 144101, AIP Publishing, 2025, doi:10.1063/5.0257558.","chicago":"Davidson, Yair, Aviad Philipp, Sabyasachi Chakraborty, Alex M. Bronstein, and Renana Gershoni-Poranne. “How Local Is ‘Local’? Deep Learning Reveals Locality of the Induced Magnetic Field of Polycyclic Aromatic Hydrocarbons.” Journal of Chemical Physics. AIP Publishing, 2025. https://doi.org/10.1063/5.0257558.","ista":"Davidson Y, Philipp A, Chakraborty S, Bronstein AM, Gershoni-Poranne R. 2025. How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons. Journal of Chemical Physics. 162(14), 144101.","ama":"Davidson Y, Philipp A, Chakraborty S, Bronstein AM, Gershoni-Poranne R. How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons. Journal of Chemical Physics. 2025;162(14). doi:10.1063/5.0257558"},"has_accepted_license":"1","status":"public","scopus_import":"1","issue":"14","file_date_updated":"2025-04-22T09:27:43Z","isi":1,"publication":"Journal of Chemical Physics","date_updated":"2025-09-30T12:06:51Z","publication_identifier":{"eissn":["1089-7690"],"issn":["0021-9606"]},"OA_type":"hybrid","oa_version":"Published Version","title":"How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons","date_created":"2025-04-20T22:01:28Z","publication_status":"published","file":[{"file_id":"19606","date_updated":"2025-04-22T09:27:43Z","relation":"main_file","creator":"dernst","file_name":"2025_JourChemicalPhysics_Davidson.pdf","checksum":"20a31a4c506b52de863bab7d3ff989ef","file_size":7812182,"date_created":"2025-04-22T09:27:43Z","content_type":"application/pdf","success":1,"access_level":"open_access"}],"publisher":"AIP Publishing","article_processing_charge":"Yes (in subscription journal)","tmp":{"image":"/images/cc_by_nc.png","short":"CC BY-NC (4.0)","name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode"},"corr_author":"1","related_material":{"link":[{"relation":"software","url":"https://gitlab.com/porannegroup/magnetic_locality"}]},"pmid":1,"oa":1,"doi":"10.1063/5.0257558","acknowledgement":"The authors express their gratitude to Professor Dr. Peter Chen for his continued support. The authors acknowledge the Branco Weiss Fellowship for supporting this research as part of a Society in Science grant and the Israel Science Foundation for financial support (Grant No. 1745/23 to R.G.-P.). R.G.-P. is a Branco Weiss Fellow, a Horev Fellow, and an Alon Scholarship recipient. A.M.B. was supported by the ERC StG EARS and the Israeli Science Foundation.","department":[{"_id":"AlBr"}],"month":"04","article_type":"original","project":[{"name":"Acoustics-based drone navigation and interaction","grant_number":"863839","_id":"92f4a086-16d5-11f0-9cad-c929f5c58b0c"}],"volume":162,"author":[{"first_name":"Yair","full_name":"Davidson, Yair","last_name":"Davidson"},{"first_name":"Aviad","full_name":"Philipp, Aviad","last_name":"Philipp"},{"last_name":"Chakraborty","full_name":"Chakraborty, Sabyasachi","first_name":"Sabyasachi"},{"full_name":"Bronstein, Alexander","last_name":"Bronstein","orcid":"0000-0001-9699-8730","first_name":"Alexander","id":"58f3726e-7cba-11ef-ad8b-e6e8cb3904e6"},{"last_name":"Gershoni-Poranne","full_name":"Gershoni-Poranne, Renana","first_name":"Renana"}]}]