Global optimization.

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Hartke, B. (2011) Global optimization. Wiley Interdisciplinary Reviews-Computational Molecular Science, 1 (6). pp. 879-887. DOI 10.1002/wcms.70.

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Abstract

The current status of global optimization in computational molecular science is characterized in this article by focusing on one particular area, evolutionary algorithms applied to cluster structure optimization. Other algorithms and application areas are also mentioned briefly, indicating a widespread use of global optimization techniques in every conceivable branch of computational molecular science. (C) 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 879-887 DOI: 10.1002/wcms.70

Document Type: Article
Keywords: crystal-structure prediction lennard-jones clusters femtosecond quantum control lattice-searching method genetic algorithm geometry optimization energy landscapes flexible molecules conformational-analysis silicon clusters
Research affiliation: Kiel University
Refereed: Yes
Date Deposited: 01 Nov 2012 05:00
Last Modified: 01 Nov 2012 05:00
URI: https://oceanrep.geomar.de/id/eprint/17439

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