Multi-level Monte Carlo path integral molecular dynamics for thermal average calculation in the nonadiabatic regime.
Xiaoyu LeiZhennan ZhouPublished in: CoRR (2020)
Keyphrases
- monte carlo
- molecular dynamics
- matrix inversion
- markov chain
- high performance computing
- scientific data
- confidence intervals
- markovian decision
- monte carlo simulation
- importance sampling
- monte carlo methods
- adaptive sampling
- fluid flow
- molecular dynamics simulations
- monte carlo tree search
- protein folding
- particle filter
- point processes
- variance reduction
- databases
- image sequences
- machine learning