DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Hyoung Gyu | ko |
dc.contributor.author | Choi, Si-Kyung | ko |
dc.contributor.author | Lee, HyuckMo | ko |
dc.date.accessioned | 2009-08-31T05:10:13Z | - |
dc.date.available | 2009-08-31T05:10:13Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2008-04 | - |
dc.identifier.citation | JOURNAL OF CHEMICAL PHYSICS, v.128, no.14, pp.144702-1 - 144702-4 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/10203/10878 | - |
dc.description.abstract | The 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.sponsorship | One 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.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | AMER INST PHYSICS | - |
dc.subject | LENNARD-JONES CLUSTERS | - |
dc.subject | GENETIC ALGORITHM | - |
dc.subject | BIMETALLIC NANOPARTICLES | - |
dc.subject | NANOALLOY CLUSTERS | - |
dc.subject | GOLD PARTICLES | - |
dc.subject | OPTIMIZATION | - |
dc.subject | SIMULATION | - |
dc.title | New algorithm in the basin hopping Monte Carlo to find the global minimum structure of unary and, binary metallic nanoclusters | - |
dc.type | Article | - |
dc.identifier.wosid | 000255470300050 | - |
dc.identifier.scopusid | 2-s2.0-85013971859 | - |
dc.type.rims | ART | - |
dc.citation.volume | 128 | - |
dc.citation.issue | 14 | - |
dc.citation.beginningpage | 144702-1 | - |
dc.citation.endingpage | 144702-4 | - |
dc.citation.publicationname | JOURNAL OF CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1063/1.2900644 | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Choi, Si-Kyung | - |
dc.contributor.localauthor | Lee, HyuckMo | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | LENNARD-JONES CLUSTERS | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | BIMETALLIC NANOPARTICLES | - |
dc.subject.keywordPlus | NANOALLOY CLUSTERS | - |
dc.subject.keywordPlus | GOLD PARTICLES | - |
dc.subject.keywordPlus | OPTIMIZATION | - |
dc.subject.keywordPlus | SIMULATION | - |
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