"Producing chemically accurate atomic Gaussian process regression models by ..."

Matthew J. Burn, Paul L. A. Popelier (2022)

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DOI: 10.1002/JCC.27006

access: open

type: Journal Article

metadata version: 2023-09-12

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Matthew J. Burn, Paul L. A. Popelier:
Producing chemically accurate atomic Gaussian process regression models by active learning for molecular simulation. J. Comput. Chem. 43(31): 2084-2098 (2022)

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