{"id":"https://openalex.org/W1992922214","doi":"https://doi.org/10.1109/cec.2011.5949665","title":"A parallel evolutionary algorithm to search for global minima geometries of heterogeneous ab initio atomic clusters","display_name":"A parallel evolutionary algorithm to search for global minima geometries of heterogeneous ab initio atomic clusters","publication_year":2011,"publication_date":"2011-06-01","ids":{"openalex":"https://openalex.org/W1992922214","doi":"https://doi.org/10.1109/cec.2011.5949665","mag":"1992922214"},"language":"en","primary_location":{"id":"doi:10.1109/cec.2011.5949665","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cec.2011.5949665","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2011 IEEE Congress of Evolutionary Computation (CEC)","raw_type":"proceedings-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/A5023995796","display_name":"Omar P. Vilela Neto","orcid":"https://orcid.org/0000-0003-1769-0629"},"institutions":[{"id":"https://openalex.org/I110200422","display_name":"Universidade Federal de Minas Gerais","ror":"https://ror.org/0176yjw32","country_code":"BR","type":"education","lineage":["https://openalex.org/I110200422"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Omar Paranaiba Vilela Neto","raw_affiliation_strings":["Computer Science Department UFMG, Belo Horizonte, MG, Brazil","Computer Science Department, UFMG, Belo Horizonte, MG, Brazil"],"affiliations":[{"raw_affiliation_string":"Computer Science Department UFMG, Belo Horizonte, MG, Brazil","institution_ids":["https://openalex.org/I110200422"]},{"raw_affiliation_string":"Computer Science Department, UFMG, Belo Horizonte, MG, Brazil","institution_ids":["https://openalex.org/I110200422"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5091743378","display_name":"Marco Aur\u00e9lio C. Pacheco","orcid":"https://orcid.org/0000-0002-2381-0183"},"institutions":[{"id":"https://openalex.org/I2699952","display_name":"Pontifical Catholic University of Rio de Janeiro","ror":"https://ror.org/01dg47b60","country_code":"BR","type":"education","lineage":["https://openalex.org/I2699952"]},{"id":"https://openalex.org/I4210163686","display_name":"Hospital Adventista Silvestre","ror":"https://ror.org/04tpy3f14","country_code":"BR","type":"healthcare","lineage":["https://openalex.org/I4210163686"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Marco Aurelio C. Pacheco","raw_affiliation_strings":["Andr\u00e9 Silva Pimentel \u00canio Frota da Silveira PUC-Rio, Rio de Janeiro, RJ, Brazil","Andr\u00e9 Silva Pimentel \u00canio Frota da Silveira, PUC-Rio Rio de Janeiro, RJ, Brazil"],"affiliations":[{"raw_affiliation_string":"Andr\u00e9 Silva Pimentel \u00canio Frota da Silveira PUC-Rio, Rio de Janeiro, RJ, Brazil","institution_ids":["https://openalex.org/I4210163686"]},{"raw_affiliation_string":"Andr\u00e9 Silva Pimentel \u00canio Frota da Silveira, PUC-Rio Rio de Janeiro, RJ, Brazil","institution_ids":["https://openalex.org/I2699952"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5023995796"],"corresponding_institution_ids":["https://openalex.org/I110200422"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.06947264,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"101","issue":null,"first_page":"537","last_page":"543"},"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":0.9984999895095825,"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/T12646","display_name":"Inorganic Fluorides and Related Compounds","score":0.9973999857902527,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/maxima-and-minima","display_name":"Maxima and minima","score":0.7715798616409302},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.6178970336914062},{"id":"https://openalex.org/keywords/crossover","display_name":"Crossover","score":0.585699737071991},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.5719174146652222},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5142704844474792},{"id":"https://openalex.org/keywords/ab-initio-quantum-chemistry-methods","display_name":"Ab initio quantum chemistry methods","score":0.4467226266860962},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.4148423671722412},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.25773024559020996},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2370305359363556},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1797133982181549},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.1550983190536499}],"concepts":[{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.7715798616409302},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6178970336914062},{"id":"https://openalex.org/C122507166","wikidata":"https://www.wikidata.org/wiki/Q628906","display_name":"Crossover","level":2,"score":0.585699737071991},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.5719174146652222},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5142704844474792},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.4467226266860962},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4148423671722412},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.25773024559020996},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2370305359363556},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1797133982181549},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.1550983190536499},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/cec.2011.5949665","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cec.2011.5949665","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2011 IEEE Congress of Evolutionary Computation (CEC)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.8399999737739563,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W580682709","https://openalex.org/W1521042556","https://openalex.org/W1523142422","https://openalex.org/W1544171083","https://openalex.org/W1571270683","https://openalex.org/W1585090495","https://openalex.org/W1587001921","https://openalex.org/W1620395193","https://openalex.org/W1650012584","https://openalex.org/W1968973216","https://openalex.org/W1974780529","https://openalex.org/W1986602910","https://openalex.org/W1993221541","https://openalex.org/W2004620980","https://openalex.org/W2013049706","https://openalex.org/W2021074901","https://openalex.org/W2063060768","https://openalex.org/W2087383879","https://openalex.org/W2092188627","https://openalex.org/W2093422894","https://openalex.org/W2128607364","https://openalex.org/W2134319176","https://openalex.org/W2142183404","https://openalex.org/W2149568574","https://openalex.org/W2326958937","https://openalex.org/W2485782400","https://openalex.org/W2502052427","https://openalex.org/W2618373420","https://openalex.org/W2765326491","https://openalex.org/W3105621768","https://openalex.org/W3153767838","https://openalex.org/W4210464386","https://openalex.org/W4230324145","https://openalex.org/W4238885544","https://openalex.org/W4255513991","https://openalex.org/W4301173492"],"related_works":["https://openalex.org/W2071676860","https://openalex.org/W2063391978","https://openalex.org/W800251536","https://openalex.org/W2595508481","https://openalex.org/W2065301963","https://openalex.org/W4287877216","https://openalex.org/W240981405","https://openalex.org/W1995432846","https://openalex.org/W2025274054","https://openalex.org/W1971266604"],"abstract_inverted_index":{"In":[0],"this":[1],"work":[2],"we":[3,94,113],"present":[4],"a":[5,104],"parallel":[6],"evolutionary":[7],"algorithm":[8,129],"applied":[9],"to":[10,31,50,97,117,133],"the":[11,14,34,40,78,88,99,115,127],"search":[12],"of":[13,17,36,43,73,107,110,121,136],"lowest-energy":[15],"structures":[16],"heterogeneous":[18],"atomic":[19,44,137],"clusters.":[20,140],"A":[21],"new":[22,37,108],"and":[23,53,87,102,123,138],"improved":[24],"crossover":[25],"operator":[26],"is":[27,69],"proposed":[28,48,79,128],"in":[29],"order":[30],"always":[32],"ensure":[33],"creation":[35],"clusters":[38,120],"with":[39,84,119],"same":[41],"number":[42,106],"elements.":[45],"The":[46],"approach":[47],"proved":[49],"be":[51,131],"efficient":[52],"fast":[54],"as":[55,93],"all":[56,134],"cluster":[57],"calculations":[58],"were":[59,95],"performed":[60],"by":[61],"an":[62],"ab":[63],"initio":[64],"quantum":[65],"mechanics":[66],"method,":[67],"which":[68],"computationally":[70],"expensive.":[71],"Results":[72],"our":[74],"search,":[75],"obtained":[76],"using":[77],"approach,":[80],"have":[81],"been":[82,91],"compared":[83],"previous":[85],"calculations,":[86],"efficiency":[89],"has":[90],"confirmed,":[92],"able":[96],"find":[98],"global":[100],"minimum":[101],"propose":[103],"wide":[105],"isomers":[109],"low-energy.":[111],"Specifically,":[112],"addressed":[114],"problem":[116],"deal":[118],"lithium":[122],"fluorine":[124],"atoms.":[125],"However,":[126],"can":[130],"extended":[132],"kind":[135],"molecular":[139]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
