Difference between revisions of "Time step"

From SklogWiki
Jump to: navigation, search
(Multiple time steps)
m (Added a reference)
Line 1: Line 1:
 
{{Stub-general}}
 
{{Stub-general}}
The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
+
The '''time-step''' is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
 
==Multiple time steps==
 
==Multiple time steps==
A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]):
+
<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett,  D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>
*[http://dx.doi.org/10.1063/1.463137    M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]
+
====RESPA====
 
+
A well known multiple time step method is the reversible reference system propagator algorithm ([[RESPA]]) <ref>[http://dx.doi.org/10.1063/1.463137    M. Tuckerman, B. J. Berne and G. J. Martyna "Reversible multiple time scale molecular dynamics", Journal of Chemical Physics '''97''' pp. 1990-2001 (1992)]</ref>.
 
==See also==
 
==See also==
 
*[[Dissipative particle dynamics]]
 
*[[Dissipative particle dynamics]]
 +
==References==
 +
<references/>
 
[[category:molecular dynamics]]
 
[[category:molecular dynamics]]

Revision as of 15:32, 27 July 2010

Simeq0.png This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page.

The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (10^{-15}) seconds for molecular simulations.

Multiple time steps

[1]

RESPA

A well known multiple time step method is the reversible reference system propagator algorithm (RESPA) [2].

See also

References