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Parallelization of a Density Functional Program for Monte-Carlo Simulation of Large Molecules.

Jorge M. PachecoJosé Luís Martins
Published in: VECPAR (2000)
Keyphrases
  • monte carlo simulation
  • monte carlo
  • markov chain
  • additive model
  • parallel processing
  • computer programs
  • programming environment
  • objective function
  • density function