{"id":"https://openalex.org/W6949362158","doi":"https://doi.org/10.5281/zenodo.15255830","title":"Scaling Neural-Network-Based Molecular Dynamics with Long-Range Electrostatic Interactions to 51 Nanoseconds per Day","display_name":"Scaling Neural-Network-Based Molecular Dynamics with Long-Range Electrostatic Interactions to 51 Nanoseconds per Day","publication_year":2025,"publication_date":"2025-04-01","ids":{"openalex":"https://openalex.org/W6949362158","doi":"https://doi.org/10.5281/zenodo.15255830"},"language":"en","primary_location":{"id":"doi:10.5281/zenodo.15255830","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.15255830","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"type":"other","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.5281/zenodo.15255830","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Jianxiong, Li","orcid":"https://orcid.org/0009-0004-0121-2360"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianxiong, Li","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Beining, Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Beining, Zhang","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Mingzhen, Li","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mingzhen, Li","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Siyu, Hu","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Siyu, Hu","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Jinzhe, Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinzhe, Zeng","raw_affiliation_strings":["School of Artificial Intelligence and Data Science, University of Science and Technology of China, Hefei 230026, China"],"affiliations":[{"raw_affiliation_string":"School of Artificial Intelligence and Data Science, University of Science and Technology of China, Hefei 230026, China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Lijun, Liu","orcid":"https://orcid.org/0000-0002-7278-775X"},"institutions":[{"id":"https://openalex.org/I14314212","display_name":"Osaka University of Economics","ror":"https://ror.org/04g11bp59","country_code":"JP","type":"education","lineage":["https://openalex.org/I14314212"]},{"id":"https://openalex.org/I98285908","display_name":"The University of Osaka","ror":"https://ror.org/035t8zc32","country_code":"JP","type":"education","lineage":["https://openalex.org/I98285908"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Lijun, Liu","raw_affiliation_strings":["The University of Osaka, Department of Mechanical Engineering, Graduate School of Engineering"],"affiliations":[{"raw_affiliation_string":"The University of Osaka, Department of Mechanical Engineering, Graduate School of Engineering","institution_ids":["https://openalex.org/I98285908","https://openalex.org/I14314212"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Guojun, Yuan","orcid":"https://orcid.org/0000-0002-4864-7677"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guojun, Yuan","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Zhan, Wang","orcid":"https://orcid.org/0009-0003-4274-7671"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhan, Wang","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Guangming, Tan","orcid":"https://orcid.org/0000-0002-6361-5948"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guangming, Tan","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]},{"author_position":"last","author":{"id":null,"display_name":"Weile, Jia","orcid":"https://orcid.org/0000-0001-8539-8326"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210090176","display_name":"Institute of Computing Technology","ror":"https://ror.org/0090r4d87","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210090176"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weile, Jia","raw_affiliation_strings":["SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China"],"affiliations":[{"raw_affiliation_string":"SKLP, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China","institution_ids":["https://openalex.org/I4210090176","https://openalex.org/I19820366"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":10,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210090176"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":true,"primary_topic":null,"topics":[],"keywords":[{"id":"https://openalex.org/keywords/scaling","display_name":"Scaling","score":0.6628000140190125},{"id":"https://openalex.org/keywords/nanosecond","display_name":"Nanosecond","score":0.536899983882904},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5242000222206116},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.3393000066280365},{"id":"https://openalex.org/keywords/electrostatics","display_name":"Electrostatics","score":0.32199999690055847}],"concepts":[{"id":"https://openalex.org/C99844830","wikidata":"https://www.wikidata.org/wiki/Q102441924","display_name":"Scaling","level":2,"score":0.6628000140190125},{"id":"https://openalex.org/C51141536","wikidata":"https://www.wikidata.org/wiki/Q838801","display_name":"Nanosecond","level":3,"score":0.536899983882904},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5242000222206116},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.43209999799728394},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3928000032901764},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.3393000066280365},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32739999890327454},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.32199999690055847},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3147999942302704},{"id":"https://openalex.org/C2780500908","wikidata":"https://www.wikidata.org/wiki/Q28405357","display_name":"Dynamic scaling","level":3,"score":0.27149999141693115},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.26190000772476196},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.25270000100135803}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.5281/zenodo.15255830","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.15255830","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":{"id":"doi:10.5281/zenodo.15255830","is_oa":true,"landing_page_url":"https://doi.org/10.5281/zenodo.15255830","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Test":[0]},"counts_by_year":[],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}