"Incorporation of local structure into kriging models for the prediction of ..."

Stuart J. Davie, Nicodemo Di Pasquale, Paul L. A. Popelier (2016)

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DOI: 10.1002/JCC.24465

access: open

type: Journal Article

metadata version: 2023-11-01

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Stuart J. Davie, Nicodemo Di Pasquale, Paul L. A. Popelier:
Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer. J. Comput. Chem. 37(27): 2409-2422 (2016)

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