{"id":"https://openalex.org/W2904723664","doi":"https://doi.org/10.1002/jcc.25649","title":"TGMin: An efficient global minimum searching program for free and surface\u2010supported clusters","display_name":"TGMin: An efficient global minimum searching program for free and surface\u2010supported clusters","publication_year":2018,"publication_date":"2018-12-14","ids":{"openalex":"https://openalex.org/W2904723664","doi":"https://doi.org/10.1002/jcc.25649","mag":"2904723664","pmid":"https://pubmed.ncbi.nlm.nih.gov/30549064"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.25649","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25649","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5100670043","display_name":"Xin Chen","orcid":"https://orcid.org/0000-0001-6212-2335"},"institutions":[{"id":"https://openalex.org/I99065089","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549","country_code":"CN","type":"education","lineage":["https://openalex.org/I99065089"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xin Chen","raw_affiliation_strings":["Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]},{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078306960","display_name":"Ya\u2010Fan Zhao","orcid":"https://orcid.org/0000-0002-7776-4063"},"institutions":[{"id":"https://openalex.org/I126792128","display_name":"Institute of Applied Physics","ror":"https://ror.org/01km14z09","country_code":"UA","type":"facility","lineage":["https://openalex.org/I126792128","https://openalex.org/I149851306"]},{"id":"https://openalex.org/I4210119692","display_name":"Numerical Method (China)","ror":"https://ror.org/02ns8zp42","country_code":"CN","type":"company","lineage":["https://openalex.org/I4210119692"]},{"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"]},{"id":"https://openalex.org/I99065089","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549","country_code":"CN","type":"education","lineage":["https://openalex.org/I99065089"]}],"countries":["CN","UA"],"is_corresponding":false,"raw_author_name":"Ya\u2010Fan Zhao","raw_affiliation_strings":["Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","Institute of Applied Physics and Computational Mathematics and CAEP Software Center for High Performance Numerical Simulation  Beijing 100088 China","Institute of Applied Physics and Computational Mathematics and CAEP Software Center for High Performance Numerical Simulation, Beijing 100088, China","Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]},{"raw_affiliation_string":"Institute of Applied Physics and Computational Mathematics and CAEP Software Center for High Performance Numerical Simulation  Beijing 100088 China","institution_ids":["https://openalex.org/I126792128"]},{"raw_affiliation_string":"Institute of Applied Physics and Computational Mathematics and CAEP Software Center for High Performance Numerical Simulation, Beijing 100088, China","institution_ids":["https://openalex.org/I4210119692","https://openalex.org/I4210145278"]},{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100383227","display_name":"Yangyang Zhang","orcid":"https://orcid.org/0000-0002-2055-6327"},"institutions":[{"id":"https://openalex.org/I99065089","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549","country_code":"CN","type":"education","lineage":["https://openalex.org/I99065089"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yang\u2010Yang Zhang","raw_affiliation_strings":["Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]},{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100361956","display_name":"Jun Li","orcid":"https://orcid.org/0000-0002-8456-3980"},"institutions":[{"id":"https://openalex.org/I99065089","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549","country_code":"CN","type":"education","lineage":["https://openalex.org/I99065089"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jun Li","raw_affiliation_strings":["Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China"],"raw_orcid":"https://orcid.org/0000-0002-8456-3980","affiliations":[{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University  Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]},{"raw_affiliation_string":"Department of Chemistry and Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education Tsinghua University Beijing 100084 China","institution_ids":["https://openalex.org/I99065089"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5100361956"],"corresponding_institution_ids":["https://openalex.org/I99065089"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":4.3455,"has_fulltext":false,"cited_by_count":72,"citation_normalized_percentile":{"value":0.95393255,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"40","issue":"10","first_page":"1105","last_page":"1112"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998000264167786,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998000264167786,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9995999932289124,"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/T10192","display_name":"Catalytic Processes in Materials Science","score":0.9987999796867371,"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":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6770817041397095},{"id":"https://openalex.org/keywords/nanoclusters","display_name":"Nanoclusters","score":0.5294292569160461},{"id":"https://openalex.org/keywords/x-ray-photoelectron-spectroscopy","display_name":"X-ray photoelectron spectroscopy","score":0.5144884586334229},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.48056676983833313},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.45010799169540405},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.4428233206272125},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.21045047044754028},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.12048953771591187},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.10845938324928284},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.08717763423919678},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.06257551908493042}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6770817041397095},{"id":"https://openalex.org/C2778402822","wikidata":"https://www.wikidata.org/wiki/Q22302226","display_name":"Nanoclusters","level":2,"score":0.5294292569160461},{"id":"https://openalex.org/C175708663","wikidata":"https://www.wikidata.org/wiki/Q899559","display_name":"X-ray photoelectron spectroscopy","level":2,"score":0.5144884586334229},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.48056676983833313},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.45010799169540405},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.4428233206272125},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.21045047044754028},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12048953771591187},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.10845938324928284},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.08717763423919678},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.06257551908493042},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.25649","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.25649","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:30549064","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30549064","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,"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":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/17","display_name":"Partnerships for the goals","score":0.4300000071525574}],"awards":[{"id":"https://openalex.org/G1699649979","display_name":null,"funder_award_id":"91645203","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5351018691","display_name":"\u91cd\u5143\u7d20\u5316\u5b66\u4e2d\u7684\u8c31\u5b66\u65b0\u65b9\u6cd5\u7814\u7a76","funder_award_id":"21433005","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8715691870","display_name":null,"funder_award_id":"21590792","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8841304588","display_name":null,"funder_award_id":"U1501501","funder_id":"https://openalex.org/F4320336025","funder_display_name":"Science Challenge Project"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320336025","display_name":"Science Challenge Project","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":93,"referenced_works":["https://openalex.org/W11476871","https://openalex.org/W1531674615","https://openalex.org/W1808764724","https://openalex.org/W1975567737","https://openalex.org/W1981121082","https://openalex.org/W1981368803","https://openalex.org/W1982989833","https://openalex.org/W1985164416","https://openalex.org/W1986602910","https://openalex.org/W1996820002","https://openalex.org/W1998898196","https://openalex.org/W2006102096","https://openalex.org/W2008842340","https://openalex.org/W2015769824","https://openalex.org/W2023004460","https://openalex.org/W2024330948","https://openalex.org/W2025444507","https://openalex.org/W2029944829","https://openalex.org/W2035220448","https://openalex.org/W2036127775","https://openalex.org/W2038642329","https://openalex.org/W2044108311","https://openalex.org/W2049745077","https://openalex.org/W2051842453","https://openalex.org/W2055325187","https://openalex.org/W2055639942","https://openalex.org/W2057350662","https://openalex.org/W2063060768","https://openalex.org/W2065575498","https://openalex.org/W2065586875","https://openalex.org/W2068049269","https://openalex.org/W2068505200","https://openalex.org/W2075245047","https://openalex.org/W2075282379","https://openalex.org/W2078192683","https://openalex.org/W2079698839","https://openalex.org/W2086458318","https://openalex.org/W2087490635","https://openalex.org/W2088380112","https://openalex.org/W2091883053","https://openalex.org/W2092121362","https://openalex.org/W2092188627","https://openalex.org/W2110508988","https://openalex.org/W2113830115","https://openalex.org/W2117000100","https://openalex.org/W2118015390","https://openalex.org/W2124820885","https://openalex.org/W2128126619","https://openalex.org/W2134319176","https://openalex.org/W2138587053","https://openalex.org/W2138609803","https://openalex.org/W2149568574","https://openalex.org/W2149603340","https://openalex.org/W2150345533","https://openalex.org/W2154418770","https://openalex.org/W2160923526","https://openalex.org/W2163138151","https://openalex.org/W2168542043","https://openalex.org/W2193473011","https://openalex.org/W2206837932","https://openalex.org/W2215315565","https://openalex.org/W2254634640","https://openalex.org/W2293184558","https://openalex.org/W2293330103","https://openalex.org/W2318591983","https://openalex.org/W2324747868","https://openalex.org/W2326429275","https://openalex.org/W2327324652","https://openalex.org/W2327518636","https://openalex.org/W2334036119","https://openalex.org/W2341910381","https://openalex.org/W2413505381","https://openalex.org/W2510716898","https://openalex.org/W2511938055","https://openalex.org/W2565864955","https://openalex.org/W2566651616","https://openalex.org/W2577707193","https://openalex.org/W2586607207","https://openalex.org/W2587383645","https://openalex.org/W2611008727","https://openalex.org/W2728980734","https://openalex.org/W2741720794","https://openalex.org/W2760599197","https://openalex.org/W2783428669","https://openalex.org/W2804030504","https://openalex.org/W2807640093","https://openalex.org/W2826585455","https://openalex.org/W3103206204","https://openalex.org/W3105535058","https://openalex.org/W3105621768","https://openalex.org/W3125088223","https://openalex.org/W4210601850","https://openalex.org/W4210644196"],"related_works":["https://openalex.org/W2489108034","https://openalex.org/W4319590444","https://openalex.org/W1994236459","https://openalex.org/W2210414596","https://openalex.org/W2998577358","https://openalex.org/W2971987272","https://openalex.org/W2609323171","https://openalex.org/W4389993796","https://openalex.org/W2164554470","https://openalex.org/W2079942114"],"abstract_inverted_index":{"In":[0],"this":[1],"article,":[2],"we":[3,91],"introduce":[4],"an":[5],"efficient":[6],"global-minimum":[7],"structural":[8],"search":[9],"program":[10,96],"named":[11,97],"Tsinghua":[12],"Global":[13],"Minimum":[14],"2":[15],"(TGMin-2),":[16],"which":[17,102],"is":[18],"the":[19,22,63,69,78,84],"successor":[20],"of":[21,39],"original":[23,79],"TGMin":[24,80],"algorithm":[25,51,73],"that":[26,52,74,120],"was":[27,75],"developed":[28],"in":[29,32,77],"our":[30],"group":[31],"2011.":[33],"We":[34,117],"have":[35,118],"introduced":[36],"a":[37,47,94],"number":[38],"new":[40],"features":[41],"and":[42,60,68,110,122,130,134],"improvements":[43],"into":[44],"TGMin-2,":[45],"including":[46],"symmetric":[48],"structure":[49,65,71],"generation":[50],"can":[53,103],"produce":[54],"good":[55],"initial":[56],"seeds":[57],"for":[58,127],"small-":[59],"medium-size":[61],"clusters,":[62,133],"duplicated":[64],"identification":[66],"algorithm,":[67],"improved":[70],"adaption":[72],"implemented":[76,93],"code.":[81],"To":[82],"predict":[83],"simulated":[85],"photoelectron":[86],"spectrum":[87],"(PE":[88],"spectrum)":[89],"automatically,":[90],"also":[92],"standalone":[95],"AutoPES":[98,123],"(Auto":[99],"Photoelectron":[100],"Spectroscopy),":[101],"be":[104],"used":[105],"to":[106],"simulate":[107],"PE":[108],"spectra":[109],"compare":[111],"them":[112],"with":[113],"experimental":[114],"results":[115],"automatically.":[116],"demonstrated":[119],"TGMin-2":[121],"are":[124],"powerful":[125],"tools":[126],"studying":[128],"free":[129],"surface-supported":[131],"molecules,":[132],"nanoclusters.":[135],"\u00a9":[136],"2018":[137],"Wiley":[138],"Periodicals,":[139],"Inc.":[140]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":14},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":12},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":8}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}