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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 PatraMikko Karttunen
Published in: J. Comput. Chem. (2004)
Keyphrases
  • structural properties
  • free energy
  • belief propagation
  • competitive learning
  • optimal solution
  • upper bound
  • fixed point
  • computer vision
  • pairwise
  • prior knowledge
  • semi supervised