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.
- Received 6 November 1998
DOI:https://doi.org/10.1103/PhysRevLett.83.1775
©1999 American Physical Society