From molecular dynamics to dissipative particle dynamics

Citation
Eg. Flekkoy et Pv. Coveney, From molecular dynamics to dissipative particle dynamics, PHYS REV L, 83(9), 1999, pp. 1775-1778
Citations number
20
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
83
Issue
9
Year of publication
1999
Pages
1775 - 1778
Database
ISI
SICI code
0031-9007(19990830)83:9<1775:FMDTDP>2.0.ZU;2-G
Abstract
A procedure is introduced for deriving a coarse-grained dissipative particl e dynamics from molecular dynamics. The rules of the dissipative particle d ynamics are derived from the underlying molecular interactions, and a Lange vin equation is obtained that describes the forces experienced by the dissi pative particles and specifies the associated canonical Gibbs distribution for the system.