The δ-thermostat: Selective normal-modes excitation by colored-noise Langevin dynamics

Recently, the authors introduced a comprehensive framework to use a custom-tailored Langevin equation with correlated-noise in the context of molecular-dynamics simulations. Here it is established how such a framework can be used to selectively excite normal modes whose frequency falls within a pres...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser: Ceriotti, M, Parrinello, M
Format: Journal article
Sprache:English
Veröffentlicht: 2010