TY  - JOUR
AU  - Alekseeva, Uliana
AU  - Winkler, Roland G.
AU  - Sutmann, Godehard
TI  - Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
JO  - Journal of computational physics
VL  - 314
SN  - 0021-9991
CY  - Orlando, Fla.
PB  - Academic Press
M1  - FZJ-2016-02163
SP  - 14 - 34
PY  - 2016
AB  - A new adaptive resolution technique for particle-based multi-level simulations of fluids is presented. In the approach, the representation of fluid and solvent particles is changed on the fly between an atomistic and a coarse-grained description. The present approach is based on a hybrid coupling of the multiparticle collision dynamics (MPC) method and molecular dynamics (MD), thereby coupling stochastic and deterministic particle-based methods. Hydrodynamics is examined by calculating velocity and current correlation functions for various mixed and coupled systems. We demonstrate that hydrodynamic properties of the mixed fluid are conserved by a suitable coupling of the two particle methods, and that the simulation results agree well with theoretical expectations.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000374122100002
DO  - DOI:10.1016/j.jcp.2016.02.065
UR  - https://juser.fz-juelich.de/record/807745
ER  -