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Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
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2010 (2)
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Gradient-based algorithms
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Lennard-Jones potential
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Molecular models
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Numerical optimization
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Vapor–liquid equilibrium
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Assessment of numerical optimization algorithms for the development of molecular models
(2010)
Hülsmann, Marco
;
Vrabec, Jadran
;
Maaß, Astrid
;
Reith, Dirk
GROW: A gradient-based optimization workflow for the automated development of molecular models
(2010)
Hülsmann, Marco
;
Köddermann, Thorsten
;
Vrabec, Jadran
;
Reith, Dirk
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