From Molecular Dynamics to Dissipative Particle Dynamics

Eirik G. Flekkoy; Peter V. Coveney

doi:10.1103/physrevlett.83.1775

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arXiv · cond-mat/9908334

From Molecular Dynamics to Dissipative Particle Dynamics

Eirik G. Flekkoy·Peter V. Coveney

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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.

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Eirik G. Flekkoy, Peter V. Coveney. 1999-08-24. From Molecular Dynamics to Dissipative Particle Dynamics. https://doi.org/10.1103/physrevlett.83.1775

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