{"id":"https://openalex.org/W4412772018","doi":"https://doi.org/10.1007/s00521-025-11498-7","title":"A novel method of heterogeneous parallel machine learning by CPU\u2013TPU for molecular dynamics","display_name":"A novel method of heterogeneous parallel machine learning by CPU\u2013TPU for molecular dynamics","publication_year":2025,"publication_date":"2025-07-31","ids":{"openalex":"https://openalex.org/W4412772018","doi":"https://doi.org/10.1007/s00521-025-11498-7"},"language":"en","primary_location":{"id":"doi:10.1007/s00521-025-11498-7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00521-025-11498-7","pdf_url":null,"source":{"id":"https://openalex.org/S147897268","display_name":"Neural Computing and Applications","issn_l":"0941-0643","issn":["0941-0643","1433-3058"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Neural Computing and Applications","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"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/A5032456493","display_name":"Yujia Zhang","orcid":"https://orcid.org/0009-0006-0647-7899"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yujia Zhang","raw_affiliation_strings":["College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068179016","display_name":"Xin Zhang","orcid":"https://orcid.org/0000-0002-6858-7835"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xin Zhang","raw_affiliation_strings":["College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China"],"raw_orcid":"https://orcid.org/0000-0002-6858-7835","affiliations":[{"raw_affiliation_string":"College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029202407","display_name":"Gang Zheng","orcid":"https://orcid.org/0000-0002-5598-791X"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Gang Zheng","raw_affiliation_strings":["College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046261830","display_name":"Pinghui Mo","orcid":"https://orcid.org/0009-0009-4591-8644"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Pinghui Mo","raw_affiliation_strings":["College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069374534","display_name":"Zhuoying Zhao","orcid":"https://orcid.org/0000-0001-9561-1362"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhuoying Zhao","raw_affiliation_strings":["College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100436373","display_name":"Chenyang Li","orcid":"https://orcid.org/0000-0001-6473-5784"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chenyang Li","raw_affiliation_strings":["College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101791780","display_name":"Kai Tang","orcid":"https://orcid.org/0000-0001-5666-973X"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kai Tang","raw_affiliation_strings":["College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109600600","display_name":"Jie Liu","orcid":"https://orcid.org/0000-0002-2915-2302"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jie Liu","raw_affiliation_strings":["College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China","institution_ids":["https://openalex.org/I16609230"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5068179016"],"corresponding_institution_ids":["https://openalex.org/I16609230"],"apc_list":{"value":2390,"currency":"EUR","value_usd":2990},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.12577595,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"37","issue":"26","first_page":"21949","last_page":"21967"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9994999766349792,"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":0.9994999766349792,"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/T10502","display_name":"Advanced Memory and Neural Computing","score":0.9955999851226807,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9878000020980835,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-science-and-engineering","display_name":"Computational Science and Engineering","score":0.8703687191009521},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7256693243980408},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.5019476413726807},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.483381450176239},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.47259196639060974},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.4598333537578583},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.41400596499443054},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.38837993144989014},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15242990851402283},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.10997915267944336},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.07671022415161133}],"concepts":[{"id":"https://openalex.org/C68597687","wikidata":"https://www.wikidata.org/wiki/Q362601","display_name":"Computational Science and Engineering","level":2,"score":0.8703687191009521},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7256693243980408},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.5019476413726807},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.483381450176239},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.47259196639060974},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.4598333537578583},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.41400596499443054},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.38837993144989014},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15242990851402283},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.10997915267944336},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.07671022415161133},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s00521-025-11498-7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00521-025-11498-7","pdf_url":null,"source":{"id":"https://openalex.org/S147897268","display_name":"Neural Computing and Applications","issn_l":"0941-0643","issn":["0941-0643","1433-3058"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Neural Computing and Applications","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1760117044","display_name":null,"funder_award_id":"62474058","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6595999414","display_name":null,"funder_award_id":"62101182","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":39,"referenced_works":["https://openalex.org/W1999085092","https://openalex.org/W2027109368","https://openalex.org/W2028263411","https://openalex.org/W2035720425","https://openalex.org/W2041778475","https://openalex.org/W2046001409","https://openalex.org/W2082912027","https://openalex.org/W2147993766","https://openalex.org/W2155155530","https://openalex.org/W2566642125","https://openalex.org/W2742127985","https://openalex.org/W2764267192","https://openalex.org/W2775708988","https://openalex.org/W2795584281","https://openalex.org/W2805025288","https://openalex.org/W2805362231","https://openalex.org/W2898391453","https://openalex.org/W2919129215","https://openalex.org/W2953212265","https://openalex.org/W2999264715","https://openalex.org/W3004457120","https://openalex.org/W3014178136","https://openalex.org/W3044719221","https://openalex.org/W3098509317","https://openalex.org/W3101447464","https://openalex.org/W3103689700","https://openalex.org/W3124564697","https://openalex.org/W3126533621","https://openalex.org/W3134421407","https://openalex.org/W3209739359","https://openalex.org/W4229370543","https://openalex.org/W4292169167","https://openalex.org/W4324291210","https://openalex.org/W4380484932","https://openalex.org/W4404131312","https://openalex.org/W4404133826","https://openalex.org/W4404955112","https://openalex.org/W4406320149","https://openalex.org/W4406414871"],"related_works":["https://openalex.org/W4393232657","https://openalex.org/W4412093237","https://openalex.org/W4410929354","https://openalex.org/W4390638272","https://openalex.org/W4408313902","https://openalex.org/W2023156907","https://openalex.org/W2472237121","https://openalex.org/W4323316863","https://openalex.org/W1985111449","https://openalex.org/W1773535258"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
