\textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction

DOI10.1016/J.CPC.2015.09.018zbMATH Open1344.82005DBLPjournals/cphysics/FallsLASZ16OpenAlexW1981571282WikidataQ56993014 ScholiaQ56993014MaRDI QIDQ310608FDOQ310608

Authors: Zackary Falls, David C. Lonie, Patrick Avery, Andrew Shamp, Eva Zurek 

Publication date: 8 September 2016

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2015.09.018

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zbMATH Keywords

evolutionary algorithmgenetic algorithmcrystal structuresstructure prediction

Mathematics Subject Classification ID

Learning and adaptive systems in artificial intelligence (68T05) Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Statistical mechanics of crystals (82D25)

Cited In (7)

• Crystal structure prediction via oblivious local search
• CIF2Cell: Generating geometries for electronic structure programs
• \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
• XtalOpt
• \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction
• USPEX-evolutionary crystal structure prediction
• Nexus, crystallographic computing all around the world

Uses Software

• GULP
• SIESTA
• Quantum Espresso
• MOPAC
• Avogadro
• Spglib
• VASP
• Open Babel
• GitHub

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