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...

詳細記述

書誌詳細
主要な著者: Ceriotti, M, Bussi, G, Parrinello, M
フォーマット: Journal article
言語:English
出版事項: 2012