From Molecular Dynamics to Dissipative Particle Dynamics
Soft Condensed Matter
2009-10-31 v1 Statistical Mechanics
Abstract
A procedure is introduced for deriving a coarse-grained dissipative particle dynamics from molecular dynamics. The rules of the dissipative particle dynamics are derived from the underlying molecular interactions, and a Langevin equation is obtained that describes the forces experienced by the dissipative particles and specifies the associated canonical Gibbs distribution for the system.
Cite
@article{arxiv.cond-mat/9908334,
title = {From Molecular Dynamics to Dissipative Particle Dynamics},
author = {Eirik G. Flekkoy and Peter V. Coveney},
journal= {arXiv preprint arXiv:cond-mat/9908334},
year = {2009}
}
Comments
5 pages, to appear in PRL