Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning

Published 2018 View Full Article

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Title
Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 14, Issue 5, Pages 2341-2352
Publisher
American Chemical Society (ACS)
Online
2018-03-27
DOI
10.1021/acs.jctc.7b00933

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