Conjugate gradient heat bath for ill-conditioned actions

We present a method for performing sampling from a Boltzmann distribution of an ill-conditioned quadratic action. This method is based on heat-bath thermalization along a set of conjugate directions, generated via a conjugate-gradient procedure. The resulting scheme outperforms local updates for mat...

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Bibliographic Details
Main Authors: Ceriotti, M, Bussi, G, Parrinello, M
Format: Journal article
Language:English
Published: 2007