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Learning to Optimize Molecular Geometries Using Reinforcement Learning
Submitted on
Tue, 2021-01-26 14:58
Title
Learning to Optimize Molecular Geometries Using Reinforcement Learning
Publication Type
Journal Article
Year of Publication
2021
Authors
Kabir Ahuja
William H. Green
Yi-Pei Li
Journal
Journal of Chemical Theory and Computation
Volume
17
Pagination
818-825
Keywords
DOI
http://dx.doi.org/10.1021/acs.jctc.0c00971
URL
https://doi.org/10.1021/acs.jctc.0c00971
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