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

标题
Nudged Elastic Band Calculations Accelerated with Gaussian Process Regression Based on Inverse Interatomic Distances
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 15, Issue 12, Pages 6738-6751
出版商
American Chemical Society (ACS)
发表日期
2019-10-24
DOI
10.1021/acs.jctc.9b00692

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