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Ermod: Fast and versatile computation software for solvation free energy with approximate theory of solutions.
Shun Sakuraba
Nobuyuki Matubayasi
Published in:
J. Comput. Chem. (2014)
Keyphrases
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free energy
optimal solution
generalized belief propagation
belief propagation
fixed point
competitive learning
approximate inference
high quality
upper bound
input image
energy minimization
posterior distribution
statistical physics