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2013
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Utilization of efficient gradient and Hessian computations in the force field optimization process of molecular simulations
(2013)
Hülsmann, Marco
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Kopp, Sonja
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Huber, Markus
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Reith, Dirk
Efficient gradient and Hessian calculations for numerical optimization algorithms applied to atomistic molecular simulations
(2013)
Hülsmann, Marco
;
Kopp, Sonja
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Huber, Markus
;
Reith, Dirk
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