Open AccessThe XtalOpt Evolutionary Algorithm for Crystal Structure Prediction
Author(s) -
Zackary Falls,
Patrick Avery,
Xiaoyu Wang,
Katerina P. Hilleke,
Eva Zurek
Publication year - 2020
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.0c09531
Subject(s) - benchmark (surveying) , maxima and minima , a priori and a posteriori , computer science , algorithm , evolutionary algorithm , crystal structure prediction , field (mathematics) , focus (optics) , crystal structure , theoretical computer science , machine learning , mathematics , physics , crystallography , geography , mathematical analysis , philosophy , chemistry , geodesy , epistemology , pure mathematics , optics
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