{"id":"https://openalex.org/W2121084857","doi":"https://doi.org/10.1109/tevc.2009.2033584","title":"Discovering Unique, Low-Energy Pure Water Isomers: Memetic Exploration, Optimization, and Landscape Analysis","display_name":"Discovering Unique, Low-Energy Pure Water Isomers: Memetic Exploration, Optimization, and Landscape Analysis","publication_year":2010,"publication_date":"2010-01-29","ids":{"openalex":"https://openalex.org/W2121084857","doi":"https://doi.org/10.1109/tevc.2009.2033584","mag":"2121084857"},"language":"en","primary_location":{"id":"doi:10.1109/tevc.2009.2033584","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tevc.2009.2033584","pdf_url":null,"source":{"id":"https://openalex.org/S93787993","display_name":"IEEE Transactions on Evolutionary Computation","issn_l":"1089-778X","issn":["1089-778X","1941-0026"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Evolutionary Computation","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/A5066073375","display_name":"Harold Soh","orcid":"https://orcid.org/0000-0002-3278-0035"},"institutions":[{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I3004594783","display_name":"Institute of High Performance Computing","ror":"https://ror.org/02n0ejh50","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I3004594783","https://openalex.org/I91275662"]},{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB","SG"],"is_corresponding":false,"raw_author_name":"Harold Soh","raw_affiliation_strings":["Imperial College London, London, UK","Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Imperial College London, London, UK","institution_ids":["https://openalex.org/I47508984"]},{"raw_affiliation_string":"Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore","institution_ids":["https://openalex.org/I3004594783","https://openalex.org/I115228651"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068243197","display_name":"Yew-Soon Ong","orcid":"https://orcid.org/0000-0002-4480-169X"},"institutions":[{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Yew-Soon Ong","raw_affiliation_strings":["Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore","institution_ids":["https://openalex.org/I172675005"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065033968","display_name":"Chinh Q. Nguyen","orcid":"https://orcid.org/0000-0003-1168-0470"},"institutions":[{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Quoc Chinh Nguyen","raw_affiliation_strings":["Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore","School of Mathematical and Physical Sciences, Nanyang Technological University, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore","institution_ids":["https://openalex.org/I172675005"]},{"raw_affiliation_string":"School of Mathematical and Physical Sciences, Nanyang Technological University, Singapore","institution_ids":["https://openalex.org/I172675005"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006513752","display_name":"Quang-Huy Nguyen","orcid":"https://orcid.org/0000-0002-6028-1145"},"institutions":[{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Quang Huy Nguyen","raw_affiliation_strings":["Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore","School of Mathematical and Physical Sciences, Nanyang Technological University, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center of Computational Intelligence, School of Computer Engineering, Nanyang Technological University, Singapore","institution_ids":["https://openalex.org/I172675005"]},{"raw_affiliation_string":"School of Mathematical and Physical Sciences, Nanyang Technological University, Singapore","institution_ids":["https://openalex.org/I172675005"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071842961","display_name":"Mohamed Habibullah","orcid":"https://orcid.org/0000-0002-3699-8584"},"institutions":[{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I3004594783","display_name":"Institute of High Performance Computing","ror":"https://ror.org/02n0ejh50","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I3004594783","https://openalex.org/I91275662"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Mohamed Salahuddin Habibullah","raw_affiliation_strings":["Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore","institution_ids":["https://openalex.org/I3004594783","https://openalex.org/I115228651"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111954797","display_name":"Terence Hung","orcid":null},"institutions":[{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I3004594783","display_name":"Institute of High Performance Computing","ror":"https://ror.org/02n0ejh50","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I3004594783","https://openalex.org/I91275662"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Terence Hung","raw_affiliation_strings":["Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of High Performance Computing, Agency for Science, Technology and Research, Singapore","institution_ids":["https://openalex.org/I3004594783","https://openalex.org/I115228651"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5006664767","display_name":"Jer\u2010Lai Kuo","orcid":"https://orcid.org/0000-0002-0550-0181"},"institutions":[{"id":"https://openalex.org/I4210135784","display_name":"Institute of Atomic and Molecular Sciences, Academia Sinica","ror":"https://ror.org/03haqsp75","country_code":"TW","type":"facility","lineage":["https://openalex.org/I4210135784","https://openalex.org/I84653119"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Jer-Lai Kuo","raw_affiliation_strings":["Institute of Atomic and Molecular Science, Academia Sinica, Taipei, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Atomic and Molecular Science, Academia Sinica, Taipei, Taiwan","institution_ids":["https://openalex.org/I4210135784"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":7,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":2.3143,"has_fulltext":false,"cited_by_count":38,"citation_normalized_percentile":{"value":0.8827183,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"14","issue":"3","first_page":"419","last_page":"437"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9972000122070312,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.991599977016449,"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/maxima-and-minima","display_name":"Maxima and minima","score":0.709611177444458},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5405098795890808},{"id":"https://openalex.org/keywords/memetic-algorithm","display_name":"Memetic algorithm","score":0.4731907844543457},{"id":"https://openalex.org/keywords/energy-landscape","display_name":"Energy landscape","score":0.47029778361320496},{"id":"https://openalex.org/keywords/convergence","display_name":"Convergence (economics)","score":0.4672527015209198},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.416225790977478},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.34265726804733276},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.33339452743530273},{"id":"https://openalex.org/keywords/local-search","display_name":"Local search (optimization)","score":0.3331349492073059},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.32529109716415405},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.14913013577461243},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.10211208462715149}],"concepts":[{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.709611177444458},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5405098795890808},{"id":"https://openalex.org/C35129592","wikidata":"https://www.wikidata.org/wiki/Q324793","display_name":"Memetic algorithm","level":3,"score":0.4731907844543457},{"id":"https://openalex.org/C119621388","wikidata":"https://www.wikidata.org/wiki/Q5377166","display_name":"Energy landscape","level":2,"score":0.47029778361320496},{"id":"https://openalex.org/C2777303404","wikidata":"https://www.wikidata.org/wiki/Q759757","display_name":"Convergence (economics)","level":2,"score":0.4672527015209198},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.416225790977478},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.34265726804733276},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.33339452743530273},{"id":"https://openalex.org/C135320971","wikidata":"https://www.wikidata.org/wiki/Q1868524","display_name":"Local search (optimization)","level":2,"score":0.3331349492073059},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.32529109716415405},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.14913013577461243},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.10211208462715149},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C50522688","wikidata":"https://www.wikidata.org/wiki/Q189833","display_name":"Economic growth","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/tevc.2009.2033584","is_oa":false,"landing_page_url":"https://doi.org/10.1109/tevc.2009.2033584","pdf_url":null,"source":{"id":"https://openalex.org/S93787993","display_name":"IEEE Transactions on Evolutionary Computation","issn_l":"1089-778X","issn":["1089-778X","1941-0026"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Transactions on Evolutionary Computation","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W102487131","https://openalex.org/W611059226","https://openalex.org/W1482559207","https://openalex.org/W1503296932","https://openalex.org/W1506985342","https://openalex.org/W1550894544","https://openalex.org/W1573534773","https://openalex.org/W1585335425","https://openalex.org/W1591939288","https://openalex.org/W1636598878","https://openalex.org/W1639032689","https://openalex.org/W1810942429","https://openalex.org/W1933385826","https://openalex.org/W1964390413","https://openalex.org/W1966754032","https://openalex.org/W1969232586","https://openalex.org/W1972865897","https://openalex.org/W1973503398","https://openalex.org/W1976619404","https://openalex.org/W1981581073","https://openalex.org/W1985318737","https://openalex.org/W1986602910","https://openalex.org/W1994755410","https://openalex.org/W1995829251","https://openalex.org/W1997562335","https://openalex.org/W1999268523","https://openalex.org/W2006160350","https://openalex.org/W2013387328","https://openalex.org/W2021805949","https://openalex.org/W2024060531","https://openalex.org/W2024726841","https://openalex.org/W2025965754","https://openalex.org/W2026797273","https://openalex.org/W2029667189","https://openalex.org/W2035152104","https://openalex.org/W2056760934","https://openalex.org/W2057350662","https://openalex.org/W2064891927","https://openalex.org/W2065528954","https://openalex.org/W2075393824","https://openalex.org/W2078020766","https://openalex.org/W2078613814","https://openalex.org/W2085907003","https://openalex.org/W2087179087","https://openalex.org/W2087596773","https://openalex.org/W2088001870","https://openalex.org/W2091334196","https://openalex.org/W2092325228","https://openalex.org/W2102006495","https://openalex.org/W2112036188","https://openalex.org/W2139343496","https://openalex.org/W2151041330","https://openalex.org/W2154047522","https://openalex.org/W2155939140","https://openalex.org/W2162029810","https://openalex.org/W2165885026","https://openalex.org/W2166513470","https://openalex.org/W2167506047","https://openalex.org/W2169354676","https://openalex.org/W2314622687","https://openalex.org/W2477830663","https://openalex.org/W2898889412","https://openalex.org/W3004157836","https://openalex.org/W3023540311","https://openalex.org/W3105621768","https://openalex.org/W4211211085","https://openalex.org/W4230466483","https://openalex.org/W4387688680","https://openalex.org/W6632830882","https://openalex.org/W6638285868","https://openalex.org/W6640368482","https://openalex.org/W6656506093"],"related_works":["https://openalex.org/W2163647484","https://openalex.org/W2124175595","https://openalex.org/W47248985","https://openalex.org/W2998096374","https://openalex.org/W2000270779","https://openalex.org/W2080690496","https://openalex.org/W2129486222","https://openalex.org/W3144175025","https://openalex.org/W1778024729","https://openalex.org/W2042716007"],"abstract_inverted_index":{"The":[0],"discovery":[1],"of":[2,47,77,129,156,189,201],"low-energy":[3,42,78],"stable":[4],"and":[5,12,17,33,72,74,117,131,140,152,170,176,185,218,230,251,258],"meta-stable":[6],"molecular":[7,29,245],"structures":[8],"remains":[9],"an":[10],"important":[11],"unsolved":[13],"problem":[14],"in":[15,127,214,227,237],"search":[16,125,193],"optimization.":[18],"In":[19,162],"this":[20,215,238],"paper,":[21,216],"we":[22,142,183],"contribute":[23],"two":[24,65],"stochastic":[25,122],"algorithms,":[26],"the":[27,34,45,150,157,164,187,198,204,233],"archiving":[28,35],"memetic":[30],"algorithm":[31,38,126],"(AMMA)":[32],"basin":[36],"hopping":[37],"(ABHA)":[39],"for":[40,106,224,243],"sampling":[41,199],"isomers":[43,80],"on":[44,109,203],"landscapes":[46,146],"pure":[48,211],"water":[49,68,79,212],"clusters":[50,213],"(H":[51,81],"<sub":[52,82],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[53,57,83,87],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">2</sub>":[54,84],"O)":[55,85],"<i":[56,86],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">n</i>":[58],".":[59],"We":[60],"applied":[61,209],"our":[62,180],"methods":[63],"to":[64,147,174,210,247,254],"sophisticated":[66],"empirical":[67,158],"cluster":[69],"models,":[70],"TTM2.1-F":[71,139],"OSS2,":[73,141],"generated":[75],"archives":[76],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">n":[88],"n</i>":[89],"=3-15.":[90],"Our":[91],"algorithms":[92],"not":[93],"only":[94],"reproduced":[95],"previously-found":[96],"best":[97],"minima,":[98],"but":[99],"also":[100],"discovered":[101],"new":[102],"global":[103,151],"minima":[104],"candidates":[105],"sizes":[107],"9-15":[108],"OSS2.":[110],"Further":[111],"numerical":[112],"results":[113],"show":[114],"that":[115,149],"AMMA":[116,202,217],"ABHA":[118,219],"outperformed":[119],"a":[120,135,190],"baseline":[121],"multistart":[123],"local":[124,153,192],"terms":[128],"convergence":[130],"isomer":[132],"archival.":[133],"Noting":[134],"performance":[136,200],"differential":[137],"between":[138],"analyzed":[143],"both":[144,255],"model":[145],"reveal":[148],"correlation":[154],"properties":[155,250],"models":[159],"differ":[160],"significantly.":[161],"particular,":[163],"OSS2":[165,206],"landscape":[166,181,234,249],"was":[167],"less":[168],"correlated":[169],"hence,":[171],"more":[172],"difficult":[173],"explore":[175],"optimize.":[177],"Guided":[178],"by":[179],"analyses,":[182],"proposed":[184],"demonstrated":[186],"effectiveness":[188],"hybrid":[191],"algorithm,":[194],"which":[195],"significantly":[196],"improved":[197],"larger":[205],"landscapes.":[207],"Although":[208],"can":[220,240],"be":[221,241],"easily":[222],"modified":[223],"subsequent":[225],"studies":[226],"computational":[228],"chemistry":[229],"biology.":[231],"Moreover,":[232],"analyses":[235],"conducted":[236],"paper":[239],"replicated":[242],"other":[244],"systems":[246],"uncover":[248],"provide":[252],"insights":[253],"physical":[256],"chemists":[257],"evolutionary":[259],"algorithmists.":[260]},"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":6},{"year":2012,"cited_by_count":5}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
