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A scalable parallel Monte Carlo method for free energy simulations of molecular systems.

Malek O. KhanGareth KennedyDerek Y. C. Chan
Published in: J. Comput. Chem. (2005)
Keyphrases
  • free energy
  • monte carlo method
  • markov chain
  • feature selection
  • distributed systems
  • belief propagation
  • fixed point
  • posterior distribution
  • neural network
  • pairwise
  • approximate inference