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001     807745
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024 7 _ |a 10.1016/j.jcp.2016.02.065
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100 1 _ |a Alekseeva, Uliana
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245 _ _ |a Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
260 _ _ |a Orlando, Fla.
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520 _ _ |a 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.
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700 1 _ |a Winkler, Roland G.
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700 1 _ |a Sutmann, Godehard
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773 _ _ |a 10.1016/j.jcp.2016.02.065
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