Computational Chemistry
Acceptance probability is the likelihood that a proposed move in a Markov Chain Monte Carlo (MCMC) simulation will be accepted based on the relative probabilities of the current and proposed states. This concept is crucial in the Metropolis algorithm, where it dictates whether to accept or reject new configurations during sampling, thus influencing the efficiency and convergence of the sampling process. It connects to importance sampling as well, where adjusting acceptance probabilities can improve the representation of rare events in the sampled distribution.
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