From Molecular Dynamics to Dissipative Particle Dynamics

Details From Molecular Dynamics to Dissipative Particle Dynamics From Molecular Dynamics to Dissipative Particle Dynamics

1999-08-24

arxiv.org/abs/cond-mat/9908334v1

Physics

Condensed Matter

Soft Condensed Matter

5 pages, to appear in PRL

Scientific paper

10.1103/PhysRevLett.83.1775

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.

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