{"id":"https://openalex.org/W3124564697","doi":"https://doi.org/10.1063/5.0041849","title":"Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors","display_name":"Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors","publication_year":2021,"publication_date":"2021-03-01","ids":{"openalex":"https://openalex.org/W3124564697","doi":"https://doi.org/10.1063/5.0041849","mag":"3124564697","pmid":"https://pubmed.ncbi.nlm.nih.gov/33685134"},"language":"en","primary_location":{"id":"doi:10.1063/5.0041849","doi":"https://doi.org/10.1063/5.0041849","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0041849","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2006.03320","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5076576463","display_name":"Jianxing Huang","orcid":"https://orcid.org/0000-0001-6363-5562","observed_orcids":["https://orcid.org/0000-0001-6363-5562"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianxing Huang","raw_affiliation_strings":["State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China"],"raw_orcid":"https://orcid.org/0000-0001-6363-5562","affiliations":[{"raw_affiliation_string":"State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100689117","display_name":"Linfeng Zhang","orcid":"https://orcid.org/0000-0002-8470-5846","observed_orcids":["https://orcid.org/0000-0002-8470-5846","https://orcid.org/0000-0002-3341-183X"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Linfeng Zhang","raw_affiliation_strings":["Program in Applied and Computational Mathematics, Princeton University 2 , Princeton, New Jersey 08544, USA"],"raw_orcid":"https://orcid.org/0000-0002-8470-5846","affiliations":[{"raw_affiliation_string":"Program in Applied and Computational Mathematics, Princeton University 2 , Princeton, New Jersey 08544, USA","institution_ids":["https://openalex.org/I20089843"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100452643","display_name":"Han Wang","orcid":"https://orcid.org/0000-0001-5623-1148","observed_orcids":["https://orcid.org/0000-0001-5623-1148"]},"institutions":[{"id":"https://openalex.org/I4210145278","display_name":"Institute of Applied Physics and Computational Mathematics","ror":"https://ror.org/03sxpbt26","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210145278"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Han Wang","raw_affiliation_strings":["Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics 3 , Fenghao East Road 2, Beijing 100094, People\u2019s Republic of China"],"raw_orcid":"https://orcid.org/0000-0001-5623-1148","affiliations":[{"raw_affiliation_string":"Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics 3 , Fenghao East Road 2, Beijing 100094, People\u2019s Republic of China","institution_ids":["https://openalex.org/I4210145278"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073175930","display_name":"Jinbao Zhao","orcid":"https://orcid.org/0000-0002-2753-7508","observed_orcids":["https://orcid.org/0000-0002-2753-7508"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jinbao Zhao","raw_affiliation_strings":["State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006197715","display_name":"Jun Jie Cheng","orcid":"https://orcid.org/0000-0001-6971-0797","observed_orcids":["https://orcid.org/0000-0001-6971-0797"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jun Cheng","raw_affiliation_strings":["State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China"],"raw_orcid":"https://orcid.org/0000-0001-6971-0797","affiliations":[{"raw_affiliation_string":"State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University 1 , Xiamen 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071854504","display_name":"E Weinan","orcid":"https://orcid.org/0000-0003-0272-9500","observed_orcids":["https://orcid.org/0000-0003-0272-9500"]},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Weinan E","raw_affiliation_strings":["Department of Mathematics, Princeton University 4 , Princeton, New Jersey 08544, USA","Program in Applied and Computational Mathematics, Princeton University 2 , Princeton, New Jersey 08544, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, Princeton University 4 , Princeton, New Jersey 08544, USA","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"Program in Applied and Computational Mathematics, Princeton University 2 , Princeton, New Jersey 08544, USA","institution_ids":["https://openalex.org/I20089843"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5006197715"],"corresponding_institution_ids":["https://openalex.org/I191208505"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":5.7282,"has_fulltext":true,"cited_by_count":130,"citation_normalized_percentile":{"value":0.97447129,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"154","issue":"9","first_page":"094703","last_page":"094703"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9175000190734863,"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"}},"topics":[{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9175000190734863,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.06340000033378601,"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/T10018","display_name":"Advancements in Battery Materials","score":0.008500000461935997,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/interatomic-potentials","display_name":"interatomic potentials","score":0.8270000219345093},{"id":"https://openalex.org/keywords/li10gep2s12","display_name":"Li10GeP2S12","score":0.9480000138282776},{"id":"https://openalex.org/keywords/solid-electrolytes","display_name":"solid electrolytes","score":0.8209999799728394},{"id":"https://openalex.org/keywords/lisicon","display_name":"lithium superionic conductors","score":0.824999988079071},{"id":"https://openalex.org/keywords/lithium-ion-diffusion","display_name":"lithium ion diffusion","score":0.828000009059906},{"id":"https://openalex.org/keywords/configurational-disorder","display_name":"configurational disorder","score":0.984000027179718},{"id":"https://openalex.org/keywords/thermal-expansion","display_name":"thermal expansion","score":0.8550000190734863},{"id":"https://openalex.org/keywords/size-effect","display_name":"size effect","score":0.5400000214576721},{"id":"https://openalex.org/keywords/statistical-errors","display_name":"statistical errors","score":0.6299999952316284},{"id":"https://openalex.org/keywords/lithium-ion-batteries","display_name":"lithium-ion batteries","score":0.47200000286102295}],"concepts":[{"id":"https://openalex.org/C34800285","wikidata":"https://www.wikidata.org/wiki/Q5159395","display_name":"Conductor","level":2,"score":0.5690000057220459},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5285000205039978},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.5202999711036682},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5171999931335449},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.48730000853538513},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4860000014305115},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.4830999970436096},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.46950000524520874},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.4657000005245209},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.42980000376701355},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.4260999858379364},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.3937000036239624},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3921999931335449},{"id":"https://openalex.org/C138679309","wikidata":"https://www.wikidata.org/wiki/Q6063658","display_name":"Ionic conductivity","level":4,"score":0.3889999985694885},{"id":"https://openalex.org/C109883240","wikidata":"https://www.wikidata.org/wiki/Q1672053","display_name":"Fast ion conductor","level":4,"score":0.3853999972343445},{"id":"https://openalex.org/C2778541603","wikidata":"https://www.wikidata.org/wiki/Q152763","display_name":"Lithium (medication)","level":2,"score":0.3849000036716461},{"id":"https://openalex.org/C202374169","wikidata":"https://www.wikidata.org/wiki/Q124291","display_name":"Electrical conductor","level":2,"score":0.3781000077724457},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3698999881744385},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.3646000027656555},{"id":"https://openalex.org/C2780385302","wikidata":"https://www.wikidata.org/wiki/Q367158","display_name":"Protocol (science)","level":3,"score":0.35530000925064087},{"id":"https://openalex.org/C204530211","wikidata":"https://www.wikidata.org/wiki/Q752823","display_name":"Thermal","level":2,"score":0.3434999883174896},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.33889999985694885},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.3221000134944916},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3197999894618988},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.3174000084400177},{"id":"https://openalex.org/C500300565","wikidata":"https://www.wikidata.org/wiki/Q925667","display_name":"Computer simulation","level":2,"score":0.3133000135421753},{"id":"https://openalex.org/C198082294","wikidata":"https://www.wikidata.org/wiki/Q3399648","display_name":"Position (finance)","level":2,"score":0.30799999833106995},{"id":"https://openalex.org/C2780992000","wikidata":"https://www.wikidata.org/wiki/Q17016113","display_name":"Generator (circuit theory)","level":3,"score":0.3073999881744385},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.30000001192092896},{"id":"https://openalex.org/C171268870","wikidata":"https://www.wikidata.org/wiki/Q1486676","display_name":"GRASP","level":2,"score":0.2969000041484833},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.2903999984264374},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2784000039100647},{"id":"https://openalex.org/C2776372370","wikidata":"https://www.wikidata.org/wiki/Q3399989","display_name":"Interatomic potential","level":3,"score":0.2750999927520752},{"id":"https://openalex.org/C77618280","wikidata":"https://www.wikidata.org/wiki/Q1155772","display_name":"Scheme (mathematics)","level":2,"score":0.26930001378059387},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.2615000009536743},{"id":"https://openalex.org/C66823137","wikidata":"https://www.wikidata.org/wiki/Q757568","display_name":"Atomic units","level":2,"score":0.25369998812675476}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1063/5.0041849","doi":"https://doi.org/10.1063/5.0041849","is_oa":false,"landing_page_url":"https://doi.org/10.1063/5.0041849","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},{"id":"pmid:33685134","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33685134","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,"listed_in":[],"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":"The Journal of chemical physics","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:2006.03320","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2006.03320","pdf_url":"https://arxiv.org/pdf/2006.03320","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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"},{"id":"pmh:oai:osti.gov:1853189","doi":null,"is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1853189","pdf_url":"https://www.osti.gov/servlets/purl/1853189","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},{"id":"mag:3033870784","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/pdf/2006.03320","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"arXiv (Cornell University)","raw_type":null},{"id":"doi:10.48550/arxiv.2006.03320","doi":"https://doi.org/10.48550/arxiv.2006.03320","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2006.03320","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2006.03320","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2006.03320","pdf_url":"https://arxiv.org/pdf/2006.03320","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":[{"id":"https://metadata.un.org/sdg/7","score":0.75,"display_name":"Affordable and clean energy"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1458622613","display_name":"\u57fa\u4e8e\u6df1\u5ea6\u5b66\u4e60\u7684\u81ea\u7531\u80fd\u8ba1\u7b97\u65b9\u6cd5\u7814\u7a76","funder_award_id":"11871110","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G1563453197","display_name":null,"funder_award_id":"21991151","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2659991057","display_name":null,"funder_award_id":"2016YFB0201203","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G2967332531","display_name":null,"funder_award_id":"91745103","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4720419607","display_name":null,"funder_award_id":"DE-SC0019394","funder_id":"https://openalex.org/F4320309292","funder_display_name":"Princeton University"},{"id":"https://openalex.org/G4822292103","display_name":"COMPUTATIONAL CHEMICAL SCIENCE CENTER: CHEMISTRY IN SOLUTION AND AT INTERFACES","funder_award_id":"DESC0019394","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G5654027640","display_name":null,"funder_award_id":"22021001","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G6388601012","display_name":null,"funder_award_id":"N00014-13-1-0338","funder_id":"https://openalex.org/F4320337345","funder_display_name":"Office of Naval Research"},{"id":"https://openalex.org/G6420102928","display_name":null,"funder_award_id":"21861132015","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7001579321","display_name":null,"funder_award_id":"2016YFB0201200","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G7327409615","display_name":null,"funder_award_id":"22021001","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7571631950","display_name":null,"funder_award_id":"2017YFB0102000","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G7879899988","display_name":null,"funder_award_id":"21991150","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G8876996369","display_name":null,"funder_award_id":"N00014","funder_id":"https://openalex.org/F4320337345","funder_display_name":"Office of Naval Research"},{"id":"https://openalex.org/G8918752372","display_name":null,"funder_award_id":"21991150","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320309292","display_name":"Princeton University","ror":"https://ror.org/00hx57361"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null},{"id":"https://openalex.org/F4320337345","display_name":"Office of Naval Research","ror":"https://ror.org/00rk2pe57"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3124564697.pdf","grobid_xml":"https://content.openalex.org/works/W3124564697.grobid-xml"},"referenced_works_count":94,"referenced_works":["https://openalex.org/W1522301498","https://openalex.org/W1606528480","https://openalex.org/W1911017335","https://openalex.org/W1924946853","https://openalex.org/W1949231392","https://openalex.org/W1965764022","https://openalex.org/W1970127494","https://openalex.org/W1979544533","https://openalex.org/W1981368803","https://openalex.org/W1992985800","https://openalex.org/W1999117785","https://openalex.org/W2007361815","https://openalex.org/W2008423326","https://openalex.org/W2015197254","https://openalex.org/W2016168218","https://openalex.org/W2019465613","https://openalex.org/W2021172010","https://openalex.org/W2023390323","https://openalex.org/W2025444507","https://openalex.org/W2028009294","https://openalex.org/W2029413789","https://openalex.org/W2032100925","https://openalex.org/W2032813179","https://openalex.org/W2039710335","https://openalex.org/W2040581391","https://openalex.org/W2046001409","https://openalex.org/W2051414526","https://openalex.org/W2057089150","https://openalex.org/W2058761265","https://openalex.org/W2069429467","https://openalex.org/W2083222334","https://openalex.org/W2083415705","https://openalex.org/W2086457107","https://openalex.org/W2096694960","https://openalex.org/W2107343579","https://openalex.org/W2109939806","https://openalex.org/W2111843777","https://openalex.org/W2122427541","https://openalex.org/W2139169124","https://openalex.org/W2143795526","https://openalex.org/W2153511586","https://openalex.org/W2158043072","https://openalex.org/W2164362407","https://openalex.org/W2188923970","https://openalex.org/W2197550433","https://openalex.org/W2226014281","https://openalex.org/W2230728100","https://openalex.org/W2313024171","https://openalex.org/W2321696461","https://openalex.org/W2332844629","https://openalex.org/W2418023466","https://openalex.org/W2465498528","https://openalex.org/W2487511233","https://openalex.org/W2650911154","https://openalex.org/W2660003879","https://openalex.org/W2730137807","https://openalex.org/W2742127985","https://openalex.org/W2759315951","https://openalex.org/W2771560613","https://openalex.org/W2772764871","https://openalex.org/W2775708988","https://openalex.org/W2785434749","https://openalex.org/W2788484525","https://openalex.org/W2797864456","https://openalex.org/W2803298225","https://openalex.org/W2804359235","https://openalex.org/W2804585152","https://openalex.org/W2806715593","https://openalex.org/W2808260231","https://openalex.org/W2884213676","https://openalex.org/W2891639453","https://openalex.org/W2892145045","https://openalex.org/W2897502704","https://openalex.org/W2898391453","https://openalex.org/W2911475772","https://openalex.org/W2925222827","https://openalex.org/W2937681869","https://openalex.org/W2946418155","https://openalex.org/W2950090532","https://openalex.org/W2952288216","https://openalex.org/W2958445743","https://openalex.org/W2963373387","https://openalex.org/W2972277032","https://openalex.org/W2972737270","https://openalex.org/W2978736941","https://openalex.org/W2981958391","https://openalex.org/W3006005697","https://openalex.org/W3008788633","https://openalex.org/W3010382286","https://openalex.org/W3080196364","https://openalex.org/W3097118144","https://openalex.org/W4242122764","https://openalex.org/W4251680482","https://openalex.org/W4382397895"],"related_works":["https://openalex.org/W3033870784","https://openalex.org/W4385699042","https://openalex.org/W2612347466","https://openalex.org/W4308918566","https://openalex.org/W2313772489","https://openalex.org/W3128020195","https://openalex.org/W2007361815","https://openalex.org/W4410063338","https://openalex.org/W4394809183","https://openalex.org/W3174806471"],"abstract_inverted_index":{"Solid-state":[0],"electrolyte":[1,55,169],"materials":[2,56],"with":[3,93,137,151],"superior":[4],"lithium":[5],"ionic":[6],"conductivities":[7],"are":[8,70,109,126],"vital":[9],"to":[10,22,41,47,83,153],"the":[11,24,37,66,73,77,80,103,116,138,145,159],"next-generation":[12],"Li-ion":[13,28],"batteries.":[14],"Molecular":[15],"dynamics":[16],"could":[17],"provide":[18],"atomic":[19],"scale":[20],"information":[21],"understand":[23],"diffusion":[25,81],"process":[26,82],"of":[27,65,79,118,167],"in":[29],"these":[30,133],"superionic":[31],"conductor":[32],"materials.":[33,170],"Here,":[34],"we":[35,75,142],"implement":[36],"deep":[38],"potential":[39],"generator":[40],"set":[42],"up":[43],"an":[44],"efficient":[45],"protocol":[46],"automatically":[48],"generate":[49],"interatomic":[50,68],"potentials":[51,69],"for":[52,161],"Li10GeP2S12-type":[53],"solid-state":[54,168],"(Li10GeP2S12,":[57],"Li10SiP2S12,":[58],"and":[59,63,91,106,112,123,141],"Li10SnP2S12).":[60],"The":[61,128],"reliability":[62],"accuracy":[64],"fast":[67],"validated.":[71],"With":[72],"potentials,":[74],"extend":[76],"simulation":[78],"a":[84],"wide":[85],"temperature":[86],"range":[87],"(300":[88],"K\u20131000":[89],"K)":[90],"systems":[92],"large":[94],"size":[95,107],"(\u223c1000":[96],"atoms).":[97],"Important":[98],"technical":[99],"aspects":[100],"such":[101],"as":[102],"statistical":[104],"error":[105],"effect":[108,117],"carefully":[110],"investigated,":[111],"benchmark":[113],"tests":[114],"including":[115],"density":[119],"functional,":[120],"thermal":[121],"expansion,":[122],"configurational":[124,154],"disorder":[125],"performed.":[127],"computed":[129],"data":[130],"that":[131,144],"consider":[132],"factors":[134],"agree":[135],"well":[136],"experimental":[139],"results,":[140],"find":[143],"three":[146],"structures":[147],"show":[148],"different":[149],"behaviors":[150],"respect":[152],"disorder.":[155],"Our":[156],"work":[157],"paves":[158],"way":[160],"further":[162],"research":[163],"on":[164],"computation":[165],"screening":[166]},"counts_by_year":[{"year":2026,"cited_by_count":24},{"year":2025,"cited_by_count":28},{"year":2024,"cited_by_count":30},{"year":2023,"cited_by_count":19},{"year":2022,"cited_by_count":24},{"year":2021,"cited_by_count":5}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2021-02-01T00:00:00"}