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GROW: A gradient-based optimization workflow for the automated development of molecular models.
Marco Hülsmann
Thorsten Köddermann
Jadran Vrabec
Dirk Reith
Published in:
Comput. Phys. Commun. (2010)
Keyphrases
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semi automated
global optimization
data sets
case study
knowledge based systems
probabilistic model
optimization problems
parameter estimation
complex systems
experimental data
statistical models
response surface