Fig. 1:

Schematic of the domain decomposition of a three-dimensional channel (middle), and the MD-DPD coupling via an overlapping domain (left). On the right, a typical flow profile is sketched. Shown in the MD domain are polymer brushes and solvent whereas in DPD domain we include only the solvent (middle). The MD domain is much smaller than the DPD domain, but the MD simulation is computationally much more expensive than the DPD simulation.