Computational Chemistry
The Metropolis-Hastings algorithm is a method used in statistical sampling to obtain a sequence of samples from a probability distribution. It is an essential component of Markov Chain Monte Carlo (MCMC) methods, which allow for the exploration of complex distributions when direct sampling is difficult. This algorithm generates samples by constructing a Markov chain that has the desired distribution as its equilibrium distribution, facilitating efficient approximations of multi-dimensional integrals and probabilistic models.
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