USPEX—Evolutionary crystal structure prediction

descriptionPublicationkeyboard_double_arrow_right Article 01 Dec 2006 English Publisher:Elsevier BVJournal:Computer Physics Communications, volume 175, pages 713-720 (issn: 0010-4655,

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Authors: Colin W. Glass; Artem R. Oganov; Nikolaus Hansen;

doi: 10.1016/j.cpc.2006.07.020

USPEX—Evolutionary crystal structure prediction

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Abstract

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Related Organizations

ETH Zurich
Switzerland
Lomonosov Moscow State University
Russian Federation

Keywords

evolutionary algorithm, ab initio, Statistical mechanics of solids, free energy, crystal structure prediction, Computational methods (statistical mechanics)

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