Nudged Elastic Band Calculations Accelerated with Gaussian Process Regression Based on Inverse Interatomic Distances

Published 2019 View Full Article

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Title
Nudged Elastic Band Calculations Accelerated with Gaussian Process Regression Based on Inverse Interatomic Distances
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 12, Pages 6738-6751
Publisher
American Chemical Society (ACS)
Online
2019-10-24
DOI
10.1021/acs.jctc.9b00692

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