Efficiency and Parameter Selection of a micro-macro Markov chain Monte Carlo method for molecular dynamics.

Hannes Vandecasteele Giovanni Samaey

Published in: CoRR (2022)

Keyphrases

monte carlo method
markov chain
parameter selection
molecular dynamics
monte carlo
state space
model selection
bayesian learning
genetic algorithm
posterior distribution
markov chain monte carlo
neural network
high resolution
active learning
hyperparameters
learning machines