Modeling palladium surfaces with density functional theory, neural networks and molecular dynamics

Published 2018 View Full Article

Authors

Keywords

Neural network, Potential energy surface, Molecular dynamics, Machine learning

Journal

CATALYSIS TODAY

Volume 312, Issue -, Pages 132-140

Publisher

Elsevier BV

Online

2018-03-29

DOI

10.1016/j.cattod.2018.03.045

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