{"id":"https://openalex.org/W7225737121","doi":"https://doi.org/10.1080/08927022.2026.2760272","title":"Efficient determination of equilibrium state points of Yukawa fluids through the combined features of the first peak and first valley of the radial distribution function","display_name":"Efficient determination of equilibrium state points of Yukawa fluids through the combined features of the first peak and first valley of the radial distribution function","publication_year":2026,"publication_date":"2026-11-10","ids":{"openalex":"https://openalex.org/W7225737121","doi":"https://doi.org/10.1080/08927022.2026.2760272"},"language":"en","primary_location":{"id":"doi:10.1080/08927022.2026.2760272","doi":"https://doi.org/10.1080/08927022.2026.2760272","is_oa":false,"landing_page_url":"https://doi.org/10.1080/08927022.2026.2760272","pdf_url":null,"source":{"id":"https://openalex.org/S45504773","display_name":"Molecular Simulation","issn_l":"0892-7022","issn":["0892-7022","1026-7638","1029-0435"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Simulation","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5127794116","display_name":"Xurui Li","orcid":"https://orcid.org/0009-0004-7253-5263","observed_orcids":["https://orcid.org/0009-0004-7253-5263"]},"institutions":[{"id":"https://openalex.org/I202126657","display_name":"Qufu Normal University","ror":"https://ror.org/03ceheh96","country_code":"CN","type":"education","lineage":["https://openalex.org/I202126657"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xurui Li","raw_affiliation_strings":["Qufu Normal University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Qufu Normal University","institution_ids":["https://openalex.org/I202126657"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036305529","display_name":"Jianxiang Tian","orcid":"https://orcid.org/0000-0001-6373-6953","observed_orcids":["https://orcid.org/0000-0001-6373-6953"]},"institutions":[{"id":"https://openalex.org/I202126657","display_name":"Qufu Normal University","ror":"https://ror.org/03ceheh96","country_code":"CN","type":"education","lineage":["https://openalex.org/I202126657"]},{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianxiang Tian","raw_affiliation_strings":["Dalian University of Technology","Qufu Normal University"],"raw_orcid":"https://orcid.org/0000-0001-6373-6953","affiliations":[{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]},{"raw_affiliation_string":"Qufu Normal University","institution_ids":["https://openalex.org/I202126657"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022208475","display_name":"Shangguo Yang","orcid":"https://orcid.org/0000-0002-5211-4603","observed_orcids":["https://orcid.org/0000-0002-5211-4603"]},"institutions":[{"id":"https://openalex.org/I202126657","display_name":"Qufu Normal University","ror":"https://ror.org/03ceheh96","country_code":"CN","type":"education","lineage":["https://openalex.org/I202126657"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shangguo Yang","raw_affiliation_strings":["Qufu Normal University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Qufu Normal University","institution_ids":["https://openalex.org/I202126657"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5022208475","https://openalex.org/A5036305529"],"corresponding_institution_ids":["https://openalex.org/I202126657","https://openalex.org/I27357992"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"13"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.5112000107765198,"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"}},"topics":[{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.5112000107765198,"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"}},{"id":"https://openalex.org/T10402","display_name":"Phase Equilibria and Thermodynamics","score":0.14270000159740448,"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"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.08340000361204147,"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"}}],"keywords":[],"concepts":[{"id":"https://openalex.org/C151195881","wikidata":"https://www.wikidata.org/wiki/Q1153833","display_name":"Yukawa potential","level":2,"score":0.8776999711990356},{"id":"https://openalex.org/C135508586","wikidata":"https://www.wikidata.org/wiki/Q651160","display_name":"Radial distribution function","level":3,"score":0.6306999921798706},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5465999841690063},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.5371000170707703},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.501800000667572},{"id":"https://openalex.org/C131157278","wikidata":"https://www.wikidata.org/wiki/Q51363","display_name":"Thermodynamic equilibrium","level":2,"score":0.48829999566078186},{"id":"https://openalex.org/C98856871","wikidata":"https://www.wikidata.org/wiki/Q1588488","display_name":"Radial basis function","level":3,"score":0.45910000801086426},{"id":"https://openalex.org/C107551265","wikidata":"https://www.wikidata.org/wiki/Q1458245","display_name":"Displacement (psychology)","level":2,"score":0.4575999975204468},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.4472000002861023},{"id":"https://openalex.org/C180205008","wikidata":"https://www.wikidata.org/wiki/Q159190","display_name":"Amplitude","level":2,"score":0.44519999623298645},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.43619999289512634},{"id":"https://openalex.org/C186603090","wikidata":"https://www.wikidata.org/wiki/Q55505926","display_name":"Distribution function","level":2,"score":0.415800005197525},{"id":"https://openalex.org/C184050105","wikidata":"https://www.wikidata.org/wiki/Q273163","display_name":"Isotropy","level":2,"score":0.4065000116825104},{"id":"https://openalex.org/C110121322","wikidata":"https://www.wikidata.org/wiki/Q865811","display_name":"Distribution (mathematics)","level":2,"score":0.3869999945163727},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.37380000948905945},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.3666999936103821},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.34439998865127563},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.3156000077724457},{"id":"https://openalex.org/C12668873","wikidata":"https://www.wikidata.org/wiki/Q230875","display_name":"Thermodynamic state","level":3,"score":0.29319998621940613},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.29249998927116394},{"id":"https://openalex.org/C2781467210","wikidata":"https://www.wikidata.org/wiki/Q5128327","display_name":"Classical fluids","level":2,"score":0.2915000021457672},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.26669999957084656},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.2660999894142151},{"id":"https://openalex.org/C135136745","wikidata":"https://www.wikidata.org/wiki/Q908074","display_name":"Dynamic equilibrium","level":2,"score":0.2563999891281128},{"id":"https://openalex.org/C8171440","wikidata":"https://www.wikidata.org/wiki/Q903414","display_name":"Steady state (chemistry)","level":2,"score":0.25290000438690186}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1080/08927022.2026.2760272","doi":"https://doi.org/10.1080/08927022.2026.2760272","is_oa":false,"landing_page_url":"https://doi.org/10.1080/08927022.2026.2760272","pdf_url":null,"source":{"id":"https://openalex.org/S45504773","display_name":"Molecular Simulation","issn_l":"0892-7022","issn":["0892-7022","1026-7638","1029-0435"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320547","host_organization_name":"Taylor & Francis","host_organization_lineage":["https://openalex.org/P4310320547","https://openalex.org/P4310320449"],"host_organization_lineage_names":["Taylor & Francis","Informa"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecular Simulation","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W580307638","https://openalex.org/W1585712306","https://openalex.org/W1595796962","https://openalex.org/W1929377396","https://openalex.org/W2000574747","https://openalex.org/W2009998430","https://openalex.org/W2010543424","https://openalex.org/W2017119962","https://openalex.org/W2029876794","https://openalex.org/W2037581237","https://openalex.org/W2041902442","https://openalex.org/W2044890991","https://openalex.org/W2048907521","https://openalex.org/W2053408879","https://openalex.org/W2054265141","https://openalex.org/W2063376281","https://openalex.org/W2070466901","https://openalex.org/W2114479908","https://openalex.org/W2115568962","https://openalex.org/W2123011233","https://openalex.org/W2124642337","https://openalex.org/W2135038233","https://openalex.org/W2147784945","https://openalex.org/W2155796954","https://openalex.org/W2156018238","https://openalex.org/W2504619654","https://openalex.org/W2553907052","https://openalex.org/W2741019853","https://openalex.org/W2788814447","https://openalex.org/W2903460557","https://openalex.org/W2949729322","https://openalex.org/W2995537722","https://openalex.org/W3084328670","https://openalex.org/W3085335471","https://openalex.org/W4205090305","https://openalex.org/W4312204540","https://openalex.org/W4315647539","https://openalex.org/W4321226928","https://openalex.org/W4389046166","https://openalex.org/W4389453481","https://openalex.org/W4390617443","https://openalex.org/W4400416035","https://openalex.org/W4403668109","https://openalex.org/W7118328087"],"related_works":[],"abstract_inverted_index":{"Determining":[0],"the":[1,14,23,36,39,51,54,59,62,74,109,164,167,191,197],"equilibrium":[2,27,118],"thermodynamic":[3],"state":[4,75],"points":[5],"of":[6,13,26,53,61,77,96,117,128,166],"Yukawa":[7,110,147],"fluids":[8,111],"from":[9],"local":[10],"structural":[11,71,102],"features":[12,72,103],"radial":[15],"distribution":[16],"function":[17],"(RDF)":[18],"is":[19,41,91,120],"often":[20],"limited":[21],"by":[22,43],"large":[24],"number":[25,116],"configurations":[28,119],"required":[29,115],"to":[30,122,125],"obtain":[31],"sufficiently":[32],"stable":[33],"features.":[34],"In":[35],"present":[37],"work,":[38],"limitation":[40],"addressed":[42],"introducing":[44],"a":[45,126,143],"more":[46],"efficient":[47],"strategy":[48],"that":[49],"uses":[50],"displacement":[52],"first":[55,63],"peak":[56],"rpeak\u2217":[57,97],"and":[58,73,80,84,98,138,151,155,161,180],"amplitude":[60],"valley":[64],"gvalley.":[65],"Empirical":[66],"correlations":[67,137],"between":[68],"these":[69],"two":[70],"parameters":[76],"inverse":[78],"temperature":[79],"density":[81],"are":[82,140,188],"established,":[83],"an":[85],"artificial":[86],"neural":[87],"network":[88],"(ANN)":[89],"model":[90],"further":[92,201],"developed.":[93],"The":[94,114,135,176],"combination":[95],"gvalley":[99],"provides":[100],"input":[101],"for":[104,142,190],"accurate":[105],"state-point":[106],"prediction":[107],"in":[108,131,184],"considered":[112],"here.":[113],"reduced":[121],"3500,":[123],"leading":[124],"reduction":[127,183],"about":[129],"65%":[130,182],"RDF":[132,185],"calculation":[133,186],"time.":[134],"empirical":[136,174],"ANN":[139,178],"established":[141],"three-dimensional":[144],"truncated":[145],"repulsive":[146],"system":[148],"with":[149,171],"A=100":[150],"\u03ba0=2":[152,193],"over":[153],"\u03b2\u2217\u2208[0.1,1.3]":[154],"\u03c1\u2217\u2208[0.5,1.2].":[156],"Additional":[157],"simulations":[158],"at":[159],"\u03ba0=1":[160],"4":[162],"support":[163],"usefulness":[165],"selected":[168],"descriptor":[169],"pair":[170],"separately":[172],"calibrated":[173],"correlations.":[175],"reported":[177],"accuracy":[179],"approximately":[181],"time":[187],"validated":[189],"reference":[192],"system.":[194],"Applications":[195],"beyond":[196],"investigated":[198],"conditions":[199],"require":[200],"validation.":[202]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-11T00:00:00"}
