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College of Engineering(공과대학)Dept. of Materials Science and Engineering(신소재공학과)MS-Journal Papers(저널논문)

New algorithm in the basin hopping Monte Carlo to find the global minimum structure of unary and, binary metallic nanoclusters

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dc.contributor.authorKim, Hyoung Gyuko
dc.contributor.authorChoi, Si-Kyungko
dc.contributor.authorLee, HyuckMoko
dc.date.accessioned2009-08-31T05:10:13Z-
dc.date.available2009-08-31T05:10:13Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2008-04-
dc.identifier.citationJOURNAL OF CHEMICAL PHYSICS, v.128, no.14, pp.144702-1 - 144702-4-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10203/10878-
dc.description.abstractThe basin-hopping Monte Carlo algorithm was modified to more effectively determine a global minimum structure in pure and binary metallic nanoclusters. For a pure metallic Ag(55) nanocluster, the newly developed quadratic basin-hopping Monte Carlo algorithm is 3.8 times more efficient than the standard basin-hopping Monte Carlo algorithm. For a bimetallic Ag(42)Pd(13) nanocluster, the new algorithm succeeds in finding the global minimum structure by 18.3% even though the standard basin-hopping Monte Carlo algorithm fails to achieve it. (C) 2008 American Institute of Physics.-
dc.description.sponsorshipOne of the authors (S.K.C.) acknowledges support by the Korea Science and Engineering Foundation (KOSEF) through the National Research Laboratory Program funded by the Ministry of Science and Technology (M10400000024-04J0000-02410).en
dc.languageEnglish-
dc.language.isoen_USen
dc.publisherAMER INST PHYSICS-
dc.subjectLENNARD-JONES CLUSTERS-
dc.subjectGENETIC ALGORITHM-
dc.subjectBIMETALLIC NANOPARTICLES-
dc.subjectNANOALLOY CLUSTERS-
dc.subjectGOLD PARTICLES-
dc.subjectOPTIMIZATION-
dc.subjectSIMULATION-
dc.titleNew algorithm in the basin hopping Monte Carlo to find the global minimum structure of unary and, binary metallic nanoclusters-
dc.typeArticle-
dc.identifier.wosid000255470300050-
dc.identifier.scopusid2-s2.0-85013971859-
dc.type.rimsART-
dc.citation.volume128-
dc.citation.issue14-
dc.citation.beginningpage144702-1-
dc.citation.endingpage144702-4-
dc.citation.publicationnameJOURNAL OF CHEMICAL PHYSICS-
dc.identifier.doi10.1063/1.2900644-
dc.embargo.liftdate9999-12-31-
dc.embargo.terms9999-12-31-
dc.contributor.localauthorChoi, Si-Kyung-
dc.contributor.localauthorLee, HyuckMo-
dc.type.journalArticleArticle-
dc.subject.keywordPlusLENNARD-JONES CLUSTERS-
dc.subject.keywordPlusGENETIC ALGORITHM-
dc.subject.keywordPlusBIMETALLIC NANOPARTICLES-
dc.subject.keywordPlusNANOALLOY CLUSTERS-
dc.subject.keywordPlusGOLD PARTICLES-
dc.subject.keywordPlusOPTIMIZATION-
dc.subject.keywordPlusSIMULATION-
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