{"id":"https://openalex.org/W4411037387","doi":"https://doi.org/10.1038/s43588-025-00810-z","title":"Unified deep learning framework for many-body quantum chemistry via Green\u2019s functions","display_name":"Unified deep learning framework for many-body quantum chemistry via Green\u2019s functions","publication_year":2025,"publication_date":"2025-06-04","ids":{"openalex":"https://openalex.org/W4411037387","doi":"https://doi.org/10.1038/s43588-025-00810-z","pmid":"https://pubmed.ncbi.nlm.nih.gov/40468046"},"language":"en","primary_location":{"id":"doi:10.1038/s43588-025-00810-z","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s43588-025-00810-z","pdf_url":null,"source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5093081330","display_name":"Christian Venturella","orcid":"https://orcid.org/0009-0005-0355-8485"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christian Venturella","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA"],"raw_orcid":"https://orcid.org/0009-0005-0355-8485","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071044930","display_name":"Jiachen Li","orcid":"https://orcid.org/0000-0002-9863-1091"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jiachen Li","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA"],"raw_orcid":"https://orcid.org/0000-0002-9863-1091","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081051341","display_name":"Christopher Hillenbrand","orcid":"https://orcid.org/0009-0000-2682-070X"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher Hillenbrand","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106113108","display_name":"Ximena Leyva Peralta","orcid":null},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ximena Leyva Peralta","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066481280","display_name":"Jessica Liu","orcid":"https://orcid.org/0000-0002-7427-8959"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jessica Liu","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA","institution_ids":["https://openalex.org/I32971472"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5038038703","display_name":"Tianyu Zhu","orcid":"https://orcid.org/0000-0003-2061-3237"},"institutions":[{"id":"https://openalex.org/I32971472","display_name":"Yale University","ror":"https://ror.org/03v76x132","country_code":"US","type":"education","lineage":["https://openalex.org/I32971472"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Tianyu Zhu","raw_affiliation_strings":["Department of Chemistry, Yale University, New Haven, CT, USA. tianyu.zhu@yale.edu"],"raw_orcid":"https://orcid.org/0000-0003-2061-3237","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Yale University, New Haven, CT, USA. tianyu.zhu@yale.edu","institution_ids":["https://openalex.org/I32971472"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5038038703"],"corresponding_institution_ids":["https://openalex.org/I32971472"],"apc_list":{"value":11690,"currency":"USD","value_usd":11690},"apc_paid":null,"fwci":4.2289,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.95340391,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"5","issue":"6","first_page":"502","last_page":"513"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9815999865531921,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9664999842643738,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.4140457510948181},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3694345951080322},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3563534915447235},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.3349781334400177},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2390975058078766},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.1967945396900177},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.18778082728385925}],"concepts":[{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.4140457510948181},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3694345951080322},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3563534915447235},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3349781334400177},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2390975058078766},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.1967945396900177},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.18778082728385925}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1038/s43588-025-00810-z","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s43588-025-00810-z","pdf_url":null,"source":{"id":"https://openalex.org/S4210228084","display_name":"Nature Computational Science","issn_l":"2662-8457","issn":["2662-8457"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature Computational Science","raw_type":"journal-article"},{"id":"pmid:40468046","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40468046","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nature computational science","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G122149514","display_name":null,"funder_award_id":"FA9550-24-1-0096","funder_id":"https://openalex.org/F4320306078","funder_display_name":"U.S. Department of Defense"},{"id":"https://openalex.org/G3403161382","display_name":null,"funder_award_id":"FA9550-24-1-0096","funder_id":"https://openalex.org/F4320338279","funder_display_name":"Air Force Office of Scientific Research"},{"id":"https://openalex.org/G6795413058","display_name":"NSF Engines Development Award: Advancing quantum technologies (CT)","funder_award_id":"2302908","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8058262705","display_name":null,"funder_award_id":"CHE-2337991","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306078","display_name":"U.S. Department of Defense","ror":"https://ror.org/0447fe631"},{"id":"https://openalex.org/F4320338279","display_name":"Air Force Office of Scientific Research","ror":"https://ror.org/011e9bt93"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":78,"referenced_works":["https://openalex.org/W1987686027","https://openalex.org/W1992161108","https://openalex.org/W2001417616","https://openalex.org/W2008423326","https://openalex.org/W2011327487","https://openalex.org/W2014094922","https://openalex.org/W2025444507","https://openalex.org/W2028054907","https://openalex.org/W2046076787","https://openalex.org/W2069006374","https://openalex.org/W2080635178","https://openalex.org/W2086445382","https://openalex.org/W2098614082","https://openalex.org/W2104489082","https://openalex.org/W2132493396","https://openalex.org/W2161516432","https://openalex.org/W2169740476","https://openalex.org/W2212371986","https://openalex.org/W2230728100","https://openalex.org/W2316363431","https://openalex.org/W2520022941","https://openalex.org/W2560180140","https://openalex.org/W2614157797","https://openalex.org/W2726820531","https://openalex.org/W2742127985","https://openalex.org/W2778051509","https://openalex.org/W2811122695","https://openalex.org/W2889703828","https://openalex.org/W2947167597","https://openalex.org/W2954088480","https://openalex.org/W2962009064","https://openalex.org/W2984234582","https://openalex.org/W2996225725","https://openalex.org/W2996498098","https://openalex.org/W3007178273","https://openalex.org/W3027308092","https://openalex.org/W3035559885","https://openalex.org/W3036360665","https://openalex.org/W3038229519","https://openalex.org/W3041502010","https://openalex.org/W3043238520","https://openalex.org/W3099950071","https://openalex.org/W3101706855","https://openalex.org/W3103736477","https://openalex.org/W3104644561","https://openalex.org/W3112022998","https://openalex.org/W3132956480","https://openalex.org/W3137185865","https://openalex.org/W3174875816","https://openalex.org/W3178108585","https://openalex.org/W3189164715","https://openalex.org/W3213689657","https://openalex.org/W4225405705","https://openalex.org/W4240035468","https://openalex.org/W4283333204","https://openalex.org/W4287163433","https://openalex.org/W4292960574","https://openalex.org/W4297101531","https://openalex.org/W4307409928","https://openalex.org/W4309235940","https://openalex.org/W4309759729","https://openalex.org/W4310273071","https://openalex.org/W4376642045","https://openalex.org/W4377097933","https://openalex.org/W4386278721","https://openalex.org/W4387424356","https://openalex.org/W4387424368","https://openalex.org/W4390265311","https://openalex.org/W4391577495","https://openalex.org/W4393032669","https://openalex.org/W4403996728","https://openalex.org/W4404534185","https://openalex.org/W4410096796","https://openalex.org/W4410631988","https://openalex.org/W6756040250","https://openalex.org/W6930617754","https://openalex.org/W6930843623","https://openalex.org/W6966854503"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":9},{"year":2025,"cited_by_count":6}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}