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ORCID"Calibration of forcefields for molecular simulation: Sequential design of ..."
Fabien Cailliez, Arnaud Bourasseau, Pascal Pernot (2014)
- 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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