An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO 2

Published 2016 View Full Article

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Title
An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO 2
Authors
Keywords
Machine learning, Artificial neural networks, Atomistic simulations, Titanium dioxide (TiO, 2, ), Behler–Parrinello
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 114, Issue -, Pages 135-150
Publisher
Elsevier BV
Online
2016-01-04
DOI
10.1016/j.commatsci.2015.11.047

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