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Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration, and structural properties.
Michael Patra
Mikko Karttunen
Published in:
J. Comput. Chem. (2004)
Keyphrases
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structural properties
free energy
belief propagation
competitive learning
optimal solution
upper bound
fixed point
computer vision
pairwise
prior knowledge
semi supervised