Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band Calculations

Published 2019 View Full Article

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Title
Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band Calculations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 11, Pages 6513-6523
Publisher
American Chemical Society (ACS)
Online
2019-09-26
DOI
10.1021/acs.jctc.9b00708

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