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Zhanghui Chen, Xiangwei Jiang, Jingbo Li, Shushen Li and Linwang Wang PDECO: Parallel differential evolution for clusters optimization Journal of Computational Chemistry 34

Version of Record online: 9 MAR 2013 | DOI: 10.1002/jcc.23235

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A parallel differential evolution algorithm is presented for the optimization of atomic clusters. It combines a modified differential evolution algorithm with improved genetic operators and a parallel strategy with a migration operator to address the problems of numerous local optima and large computational demands. Results of Lennard–Jones clusters, Co clusters, and Pt clusters demonstrate its superior performance.

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