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

出版年份 2019 全文链接

标题

作者

关键词

出版物

Volume 15, Issue 11, Pages 6513-6523

出版商

American Chemical Society (ACS)

发表日期

2019-09-26

DOI

10.1021/acs.jctc.9b00708

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