Composition-induced structural transitions in mixed Lennard-Jones clusters: Global reparametrization and optimization

Journal of Computational Chemistry

Volumn 32, Issue 7, 2011, Pages 1377-1385

  Dieterich, Johannes M ^a   Hartke, Bernd ^a  

^a UNIVERSITY OF KIEL   (Germany)

Author keywords

evolutionary computation; genetic algorithms; global cluster structure optimization; mixed Lennard Jones clusters; reparametrization

Indexed keywords

AB INITIO; CLUSTER STRUCTURE; EVOLUTIONARY COMPUTATIONS; FCC STRUCTURES; GLOBAL CLUSTER STRUCTURE OPTIMIZATION; GLOBAL STRUCTURE; ICOSAHEDRAL STRUCTURE; LENNARD-JONES CLUSTER; LENNARD-JONES PAIR POTENTIAL; MIXED RARE-GAS CLUSTER; POINT OF ENTRIES; REFERENCE DATA; REPARAMETRIZATION; SINGLE ATOMS; STRUCTURAL TRANSITIONS;

ATOMS; BINARY MIXTURES; GENETIC ALGORITHMS; INERT GASES; MOLECULAR DYNAMICS; SHAPE OPTIMIZATION; STRUCTURAL OPTIMIZATION;

CLUSTERING ALGORITHMS;

EID: 79953011195     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21721     Document Type: Article

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