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Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost-efficient kriging metamodels.
Fabien Cailliez
Arnaud Bourasseau
Pascal Pernot
Published in:
J. Comput. Chem. (2014)
Keyphrases
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cost efficient
molecular dynamics
metamodel
design process
modeling language
case study
three dimensional
engineering design
power consumption
dna computing
design rationale
design space
neural network
camera calibration
data model
image sequences
database systems
computer vision