"Does a Machine-Learned Potential Perform Better Than an Optimally Tuned ..."

João Morado et al. (2023)

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DOI: 10.1021/ACS.JCIM.2C01510

access: open

type: Journal Article

metadata version: 2023-09-12

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  - journals/jcisd/MoradoMNES23
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  - https://dblp.org/rec/journals/jcisd/MoradoMNES23
João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris:
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins. J. Chem. Inf. Model. 63(9): 2810-2827 (2023)

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