Colored-noise thermostats à la carte

Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailored to display desired sampling features. In the present paper, after having reviewed some analytical results for the st...

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Main Authors: Ceriotti, M, Bussi, G, Parrinello, M
格式: Journal article
语言:English
出版: 2012