Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms.
Sebastião MirandaJonas FeldtFrederico PratasRicardo A. MataNuno RomaPedro TomásPublished in: Int. J. High Perform. Comput. Appl. (2017)
Keyphrases
- monte carlo
- markov chain
- simulation study
- monte carlo simulation
- importance sampling
- monte carlo methods
- markovian decision
- monte carlo method
- particle filter
- adaptive sampling
- heterogeneous platforms
- variance reduction
- monte carlo tree search
- game tree
- stochastic approximation
- matrix inversion
- point processes
- higher order