Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost-efficient kriging metamodels
Author:
Affiliation:
1. Laboratoire de Chimie Physique; UMR8000; Univ. Paris-Sud and CNRS; Orsay F-91405 France
2. Laboratoire de Chimie Physique; UMR8000; Univ. Paris-Sud; Orsay F-91405 France
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
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