Time Step Rescaling Recovers Continuous-Time Dynamical Properties for Discrete-Time Langevin Integration of Nonequilibrium Systems

When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon desirable properties. However, for stochastic equations of motion...

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Veröffentlicht in:	The journal of physical chemistry. B 2014-06, Vol.118 (24), p.6466-6474
Hauptverfasser:	Sivak, David A, Chodera, John D, Crooks, Gavin E
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Computer simulation Dynamical systems Dynamics Equations of motion Mathematical analysis Models, Theoretical Rescaling Stochasticity
Online-Zugang:	Volltext
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