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Computational efficiency study of a micro-macro Markov chain Monte Carlo method for molecular dynamics.
Hannes Vandecasteele
Giovanni Samaey
Published in:
Appl. Math. Comput. (2024)
Keyphrases
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markov chain
monte carlo method
computational efficiency
monte carlo
genetic algorithm
computationally efficient
state space
least squares
posterior distribution
bayesian learning
computational complexity
maximum likelihood estimation
molecular dynamics
machine learning
training set
pairwise