GLOBAL CONFORMATION OPTIMIZATION OF MIXED CLUSTERS USING A GENETIC ALGORITHM

Masao Iwamatsu ()
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Masao Iwamatsu: Department of Physics, General Education Center, Musashi Institute of Technology, Setagaya-ku, Tokyo 158-8557, Japan;

International Journal of Modern Physics C (IJMPC), 2002, vol. 13, issue 03, 279-295

Abstract: The genetic algorithm (M. Iwamatsu,J. Chem. Phys.112, 10976 (2000)), which combines the space-fixed genetic algorithm of Niesse and Mayne (J. Chem. Phys.105, 4700 (1996)) with simplex local minimization method is generalized to handle the conformation optimization of binary mixed clusters. This genetic algorithm based on real coding can successfully find the lowest energy structure of mixed argon–xenon alloysArxXe13-xand confirms the results found by other methods.

Keywords: Genetic algorithm; conformation optimization; mixed cluster (search for similar items in EconPapers)
Date: 2002
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DOI: 10.1142/S0129183102003620

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