{ "abstract": null, "abstract_shown": false, "affiliations": [ "Quantum Engine LLC 1 , Lacey, Washington 98516,", "Department of Chemistry and Chicago Center for Theoretical Chemistry, University of Chicago 2 , Chicago, Illinois 60637,", "Independent Researcher 3 , Santa Clara, California 95051,", "Division of Chemistry and Chemical Engineering, California Institute of Technology 5 , Pasadena, California 91125,", "Initiative for Computational Catalysis, Flatiron Institute 4 , New York, New York 10010,", "Marcus Center for Theoretical Chemistry, California Institute of Technology 6 , Pasadena, California 91125,", "Department of Chemistry and Biochemistry, The Ohio State University 7 , Columbus, Ohio 43210,", "Department of Physics, National University of Northeast Argentina 8 , Corrientes W3404AAS,", "Department of Physics, King’s College London 9 , London WC2R 2LS,", "Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun 10 , Beijing 100190,", "Max Planck Institute for Solid State Research 11 , Heisenbergstraße 1, 70569 Stuttgart,", "CNRS, Institut de Recherche Mathématique Avancée, Université de Strasbourg 12 , F-67084 Strasbourg Cedex,", "College of Chemistry, Nankai University 13 , Tianjin 300071,", "Advanced Engineering School, ITMO University 14 , St. Petersburg 191002,", "Department of Chemistry, Yale University 15 , New Haven, Connecticut 06520,", "Department of Chemistry, Columbia University 16 , New York, New York 10027,", "HPQC Labs 17 , Waterloo, Ontario N2T 2K9,", "Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University 18 , Im Neuenheimer Feld 205, 69120 Heidelberg,", "Microsoft Research AI for Science 19 , 10178 Berlin,", "DTU Chemistry, Technical University of Denmark 20 , Kemitorvet Bldg. 206, Kgs. Lyngby 2800,", "Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University 21 , Atlanta, Georgia 30322,", "Department of Chemistry, University of Chicago 22 , Chicago, Illinois 60637,", "Institute of Physical and Theoretical Chemistry, Technische Universität Braunschweig 23 , Braunschweig 38106,", "Division of Engineering and Applied Science, California Institute of Technology 24 , Pasadena, California 91125,", "Qubit Pharmaceuticals, Advanced Research Team 25 , 75014 Paris,", "Department of Chemistry, University of Memphis 26 , Memphis, Tennessee 38152,", "Department of Chemistry, University of Helsinki 27 , Helsinki FIN-00014,", "Coalescence Labs Ltd. 28 , Swindon SN25 1WJ,", "Department of Chemistry, University of Washington 29 , Seattle, Washington 98195,", "Bakar Institute of Digital Materials for the Planet, University of California 30 , Berkeley, California 94720,", "Department of Chemistry and Biochemistry, University of California 31 , Merced, California 95343,", "Department of Chemistry, Seoul National University 32 , Seoul 08826,", "College of Chemistry and Molecular Engineering, Peking University 33 , Beijing 100871,", "Department of Chemistry, Research Computing Center, University of Chicago 34 , Chicago, Illinois 60637,", "Department of Chemistry, University of Pittsburgh 35 , Pittsburgh, Pennsylvania 15218,", "Department of Physical Chemistry, University of Salamanca 36 , Salamanca 37008,", "Molecular Sciences Software Institute, Virginia Tech 37 , Blacksburg, Virginia 24060,", "Center for Basic Research on Materials (CBRM), National Institute for Materials Science (NIMS) 38 , 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047," ], "article_type": null, "arxiv": null, "author_total": 100, "authors": [ { "affs": [ 0 ], "name": "Qiming Sun", "orcid": "0000-0003-0528-6186" }, { "affs": [ 1 ], "name": "Matthew R. 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Neufeld", "orcid": "0000-0002-4204-746X" }, { "affs": [ 3 ], "name": "Linqing Peng", "orcid": "0000-0001-5682-2407" } ], "bibtex": "https://research.draconitic.com/paper/cjtqx3y9recmt.bib", "cited_by": 22, "doi": "10.1063/5.0337441", "fulltext_url": null, "id": "cjtqx3y9recmt", "issns": [ "0021-9606", "1089-7690", "1520-9032" ], "landing_url": "http://arxiv.org/abs/2603.14155", "language": "en", "licence": "unknown", "licence_label": "Licence not stated", "licence_source": "unknown", "licence_url": null, "metadata_licence": null, "native_subjects": [ [ "openalex", "3107|Advanced Chemical Physics Studies" ] ], "openalex": "W7137837145", "pdf_url": "https://arxiv.org/pdf/2603.14155", "pmcid": null, "pmid": "42720222", "published": "2026-09-10", "publisher": "American Institute of Physics", "ris": "https://research.draconitic.com/paper/cjtqx3y9recmt.ris", "sources": [ { "first_seen": "2026-10-30T12:17:18Z", "native_id": "W7137837145", "source": "openalex", "url": "http://arxiv.org/abs/2603.14155" } ], "subjects": [ { "field": "physics", "origin": "openalex:3107|Advanced Chemical Physics Studies", "subfield": "amo" } ], "title": "The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project", "title_text": "The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project", "type": "peer-reviewed", "updated_at": "2026-11-09T13:21:02Z", "url": "https://research.draconitic.com/paper/cjtqx3y9recmt", "venue": "The Journal of Chemical Physics", "versions": [] }