How to predict very large and complex crystal structures

DOI10.1016/J.CPC.2010.06.007zbMATH Open1219.82179OpenAlexW2034942401MaRDI QIDQ536976FDOQ536976

Authors: Andriy O. Lyakhov, Artem R. Oganov, Mario Valle 

Publication date: 31 May 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2010.06.007

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zbMATH Keywords

global optimizationgenetic algorithmsevolutionary algorithmsorder parametergenetic driftcrystal structure predictionfingerprint function

Mathematics Subject Classification ID

Learning and adaptive systems in artificial intelligence (68T05) Nonconvex programming, global optimization (90C26) Statistical mechanics of crystals (82D25)

Cites Work

• USPEX-evolutionary crystal structure prediction
• Title not available (Why is that?)

Cited In (8)

• Crystal structure prediction via oblivious local search
• On the hardness of energy minimisation for crystal structure prediction
• Pauling's rules guided Monte Carlo search (PAMCARS): a shortcut of predicting inorganic crystal structures
• \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction
• \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction
• On the hardness of energy minimisation for crystal structure prediction
• USPEX-evolutionary crystal structure prediction
• Optimizing atomic structures through geno-mathematical programming

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