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@ARTICLE{Alekseeva:807745,
author = {Alekseeva, Uliana and Winkler, Roland G. and Sutmann,
Godehard},
title = {{H}ydrodynamics in adaptive resolution particle
simulations: {M}ultiparticle collision dynamics},
journal = {Journal of computational physics},
volume = {314},
issn = {0021-9991},
address = {Orlando, Fla.},
publisher = {Academic Press},
reportid = {FZJ-2016-02163},
pages = {14 - 34},
year = {2016},
abstract = {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.},
cin = {IAS-2 / ICS-2 / JSC},
ddc = {530},
cid = {I:(DE-Juel1)IAS-2-20090406 / I:(DE-Juel1)ICS-2-20110106 /
I:(DE-Juel1)JSC-20090406},
pnm = {551 - Functional Macromolecules and Complexes (POF3-551) /
511 - Computational Science and Mathematical Methods
(POF3-511)},
pid = {G:(DE-HGF)POF3-551 / G:(DE-HGF)POF3-511},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000374122100002},
doi = {10.1016/j.jcp.2016.02.065},
url = {https://juser.fz-juelich.de/record/807745},
}