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000807745 1001_ $$0P:(DE-Juel1)168402$$aAlekseeva, Uliana$$b0$$ufzj
000807745 245__ $$aHydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
000807745 260__ $$aOrlando, Fla.$$bAcademic Press$$c2016
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000807745 520__ $$aA new adaptive resolution technique for particle-based multi-level simulations of fluids is presented. In the approach, the representation of fluid and solvent particles is changed on the fly between an atomistic and a coarse-grained description. The present approach is based on a hybrid coupling of the multiparticle collision dynamics (MPC) method and molecular dynamics (MD), thereby coupling stochastic and deterministic particle-based methods. Hydrodynamics is examined by calculating velocity and current correlation functions for various mixed and coupled systems. We demonstrate that hydrodynamic properties of the mixed fluid are conserved by a suitable coupling of the two particle methods, and that the simulation results agree well with theoretical expectations.
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000807745 7001_ $$0P:(DE-Juel1)131039$$aWinkler, Roland G.$$b1$$ufzj
000807745 7001_ $$0P:(DE-Juel1)132274$$aSutmann, Godehard$$b2$$eCorresponding author$$ufzj
000807745 773__ $$0PERI:(DE-600)1469164-4$$a10.1016/j.jcp.2016.02.065$$gVol. 314, p. 14 - 34$$p14 - 34$$tJournal of computational physics$$v314$$x0021-9991$$y2016
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