Bayesian optimization for efficient determination of metal oxide grain boundary structures

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Title
Bayesian optimization for efficient determination of metal oxide grain boundary structures
Authors
Keywords
Grain boundary structure, Bayesian optimization method, Kriging, Energy surface, Metal oxide
Journal
PHYSICA B-CONDENSED MATTER
Volume 532, Issue -, Pages 24-28
Publisher
Elsevier BV
Online
2017-03-07
DOI
10.1016/j.physb.2017.03.006

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