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"Using machine learning to go beyond potential energy surface benchmarking ..."

Xingyi Guan et al. (2023)

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DOI: 10.1038/S43588-023-00549-5

access: closed

type: Journal Article

metadata version: 2024-05-07

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  - journals/ncs/GuanHKYH23
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  - https://dblp.org/rec/journals/ncs/GuanHKYH23
Xingyi Guan, Joseph P. Heindel, Taehee Ko, Chao Yang, Teresa Head-Gordon:
Using machine learning to go beyond potential energy surface benchmarking for chemical reactivity. Nat. Comput. Sci. 3(11): 965-974 (2023)

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