Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodels.

Cailliez, Fabien

Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodels. [electronic resource] - Journal of computational chemistry Jan 2014 - 130-49 p. digital

Publication Type: Journal Article

1096-987X

10.1002/jcc.23475 doi