{"id":"https://openalex.org/W2976347420","doi":"https://doi.org/10.1038/s42256-019-0098-0","title":"A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems","display_name":"A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems","publication_year":2019,"publication_date":"2019-09-30","ids":{"openalex":"https://openalex.org/W2976347420","doi":"https://doi.org/10.1038/s42256-019-0098-0","mag":"2976347420"},"language":"en","primary_location":{"id":"doi:10.1038/s42256-019-0098-0","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s42256-019-0098-0","pdf_url":null,"source":{"id":"https://openalex.org/S2912241403","display_name":"Nature Machine Intelligence","issn_l":"2522-5839","issn":["2522-5839"],"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 Machine Intelligence","raw_type":"journal-article"},"type":"article","indexed_in":["arxiv","crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/1905.02791","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Jonathan P. Mailoa","orcid":"https://orcid.org/0000-0003-2239-6192"},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Jonathan P. Mailoa","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA"],"raw_orcid":"https://orcid.org/0000-0003-2239-6192","affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Mordechai Kornbluth","orcid":"https://orcid.org/0000-0001-6705-8133"},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mordechai Kornbluth","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA"],"raw_orcid":"https://orcid.org/0000-0001-6705-8133","affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Simon Batzner","orcid":null},"institutions":[{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Simon Batzner","raw_affiliation_strings":["Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA","Massachusetts Institute of Technology, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA","institution_ids":[]},{"raw_affiliation_string":"Massachusetts Institute of Technology, Cambridge, MA, USA","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Georgy Samsonidze","orcid":null},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Georgy Samsonidze","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Stephen T. Lam","orcid":null},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]},{"id":"https://openalex.org/I63966007","display_name":"Massachusetts Institute of Technology","ror":"https://ror.org/042nb2s44","country_code":"US","type":"education","lineage":["https://openalex.org/I63966007"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Stephen T. Lam","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA","Massachusetts Institute of Technology, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]},{"raw_affiliation_string":"Massachusetts Institute of Technology, Cambridge, MA, USA","institution_ids":["https://openalex.org/I63966007"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jonathan Vandermause","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jonathan Vandermause","raw_affiliation_strings":["Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":null,"display_name":"Chris Ablitt","orcid":null},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]},{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB","US"],"is_corresponding":false,"raw_author_name":"Chris Ablitt","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA","Imperial College London, London, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]},{"raw_affiliation_string":"Imperial College London, London, UK","institution_ids":["https://openalex.org/I47508984"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Nicola Molinari","orcid":"https://orcid.org/0000-0002-2913-7030"},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nicola Molinari","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA","Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA"],"raw_orcid":"https://orcid.org/0000-0002-2913-7030","affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]},{"raw_affiliation_string":"Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA","institution_ids":[]}]},{"author_position":"last","author":{"id":null,"display_name":"Boris Kozinsky","orcid":null},"institutions":[{"id":"https://openalex.org/I4210120115","display_name":"Robert Bosch (United States)","ror":"https://ror.org/02venad53","country_code":"US","type":"company","lineage":["https://openalex.org/I4210120115","https://openalex.org/I889804353"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Boris Kozinsky","raw_affiliation_strings":["Bosch Research and Technology Center, Cambridge, MA, USA","Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bosch Research and Technology Center, Cambridge, MA, USA","institution_ids":["https://openalex.org/I4210120115"]},{"raw_affiliation_string":"Harvard School of Engineering and Applied Sciences, Cambridge, MA, USA","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":9,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I4210120115"],"apc_list":{"value":9750,"currency":"EUR","value_usd":11690},"apc_paid":null,"fwci":2.2029,"has_fulltext":false,"cited_by_count":46,"citation_normalized_percentile":{"value":0.88211415,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"1","issue":"10","first_page":"471","last_page":"479"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9900000095367432,"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":0.9900000095367432,"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/T10923","display_name":"Force Microscopy Techniques and Applications","score":0.0026000000070780516,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0008999999845400453,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/covariant-transformation","display_name":"Covariant transformation","score":0.7168999910354614},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5856000185012817},{"id":"https://openalex.org/keywords/exploit","display_name":"Exploit","score":0.5530999898910522},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.4975999891757965},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.4535999894142151},{"id":"https://openalex.org/keywords/python","display_name":"Python (programming language)","score":0.45019999146461487},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.414900004863739},{"id":"https://openalex.org/keywords/architecture","display_name":"Architecture","score":0.39100000262260437}],"concepts":[{"id":"https://openalex.org/C9136319","wikidata":"https://www.wikidata.org/wiki/Q362640","display_name":"Covariant transformation","level":2,"score":0.7168999910354614},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6353999972343445},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5856000185012817},{"id":"https://openalex.org/C165696696","wikidata":"https://www.wikidata.org/wiki/Q11287","display_name":"Exploit","level":2,"score":0.5530999898910522},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.4975999891757965},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.4535999894142151},{"id":"https://openalex.org/C519991488","wikidata":"https://www.wikidata.org/wiki/Q28865","display_name":"Python (programming language)","level":2,"score":0.45019999146461487},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.414900004863739},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.3968999981880188},{"id":"https://openalex.org/C123657996","wikidata":"https://www.wikidata.org/wiki/Q12271","display_name":"Architecture","level":2,"score":0.39100000262260437},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.3758000135421753},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.35899999737739563},{"id":"https://openalex.org/C47822265","wikidata":"https://www.wikidata.org/wiki/Q854457","display_name":"Complex system","level":2,"score":0.32409998774528503},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3068000078201294},{"id":"https://openalex.org/C91188154","wikidata":"https://www.wikidata.org/wiki/Q186247","display_name":"Vector field","level":2,"score":0.2992999851703644},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.2985999882221222},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.28850001096725464},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.28760001063346863},{"id":"https://openalex.org/C117896860","wikidata":"https://www.wikidata.org/wiki/Q11376","display_name":"Acceleration","level":2,"score":0.2775999903678894},{"id":"https://openalex.org/C116672817","wikidata":"https://www.wikidata.org/wiki/Q1454986","display_name":"Physical system","level":2,"score":0.26570001244544983},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2632000148296356},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.2524999976158142}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1038/s42256-019-0098-0","is_oa":false,"landing_page_url":"https://doi.org/10.1038/s42256-019-0098-0","pdf_url":null,"source":{"id":"https://openalex.org/S2912241403","display_name":"Nature Machine Intelligence","issn_l":"2522-5839","issn":["2522-5839"],"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 Machine Intelligence","raw_type":"journal-article"},{"id":"pmh:oai:dash.harvard.edu:1/37374213","is_oa":false,"landing_page_url":"https://nrs.harvard.edu/URN-3:HUL.INSTREPOS:37374213","pdf_url":null,"source":{"id":"https://openalex.org/S4306401540","display_name":"Digital Access to Scholarship at Harvard (DASH) (Harvard University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I136199984","host_organization_name":"Harvard University","host_organization_lineage":["https://openalex.org/I136199984"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"Nat Mach Intell","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:1905.02791","is_oa":true,"landing_page_url":"http://arxiv.org/abs/1905.02791","pdf_url":"https://arxiv.org/pdf/1905.02791","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:1905.02791","is_oa":true,"landing_page_url":"http://arxiv.org/abs/1905.02791","pdf_url":"https://arxiv.org/pdf/1905.02791","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1975997599","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1991417089","https://openalex.org/W2007395042","https://openalex.org/W2017128337","https://openalex.org/W2017196167","https://openalex.org/W2019465613","https://openalex.org/W2020682222","https://openalex.org/W2025444507","https://openalex.org/W2037464828","https://openalex.org/W2060526630","https://openalex.org/W2063007245","https://openalex.org/W2079105963","https://openalex.org/W2083222334","https://openalex.org/W2083415705","https://openalex.org/W2121237359","https://openalex.org/W2133641393","https://openalex.org/W2133899839","https://openalex.org/W2133994857","https://openalex.org/W2155155530","https://openalex.org/W2313966941","https://openalex.org/W2316524229","https://openalex.org/W2330621792","https://openalex.org/W2410722695","https://openalex.org/W2541404351","https://openalex.org/W2566573083","https://openalex.org/W2585152223","https://openalex.org/W2585298970","https://openalex.org/W2606850798","https://openalex.org/W2614157797","https://openalex.org/W2742127985","https://openalex.org/W2742271598","https://openalex.org/W2755837508","https://openalex.org/W2766856748","https://openalex.org/W2772764871","https://openalex.org/W2778051509","https://openalex.org/W2779474077","https://openalex.org/W2785507006","https://openalex.org/W2788627723","https://openalex.org/W2788652239","https://openalex.org/W2788775653","https://openalex.org/W2795523124","https://openalex.org/W2804359235","https://openalex.org/W2884430236","https://openalex.org/W2888664978","https://openalex.org/W2888924539","https://openalex.org/W2892182810","https://openalex.org/W2895314722","https://openalex.org/W2899137165","https://openalex.org/W2902452488","https://openalex.org/W2903284152","https://openalex.org/W2907597247","https://openalex.org/W2913423296","https://openalex.org/W2914584698","https://openalex.org/W3012230641","https://openalex.org/W4289677812"],"related_works":["https://openalex.org/W2386387936","https://openalex.org/W3107474891","https://openalex.org/W2802349271","https://openalex.org/W1629725936","https://openalex.org/W11765363","https://openalex.org/W644753246","https://openalex.org/W2127140329","https://openalex.org/W2079120786","https://openalex.org/W3151863079","https://openalex.org/W2765694638"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":9},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":9},{"year":2020,"cited_by_count":2}],"updated_date":"2026-06-17T06:14:20.161405","created_date":"2019-10-03T00:00:00"}
