"Calibration of forcefields for molecular simulation: Sequential design of ..."

Fabien Cailliez, Arnaud Bourasseau, Pascal Pernot (2014)

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DOI: 10.1002/JCC.23475

access: closed

type: Journal Article

metadata version: 2020-10-26

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Fabien Cailliez, Arnaud Bourasseau, Pascal Pernot:
Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost-efficient kriging metamodels. J. Comput. Chem. 35(2): 130-149 (2014)

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