Colloidal suspension by SRD–MD simulation on GPU

Abstract In this paper, we focus on a coarse-grained model for fluid simulation named Stochastic Rotation Dynamics (SRD) combined with colloids simulated with Molecular Dynamics (MD). In this method, the fluid is represented by point particles with continuous velocities distributed in small cells. The coupling between the dynamics of the fluid particles and the dynamics of colloids is performed by applying repulsive forces between these two kinds of particles at each MD step. As this method is computationally expensive for large systems, we propose an approach adapted to graphical processing units (GPU) that outperforms existing methods by associating each colloid to a block of parallel threads. This strategy offers a better workload balance on the GPU even for systems with a large number of neighbors.