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We describe a recent multiscale approach based on the concurrent coupling ofconstrained molecular dynamics for long biomolecules with a mesoscopic latticeBoltzmann treatment of solvent hydrodynamics. The multiscale approach is basedon a simple scheme of exchange of space-time information between the atomisticand mesoscopic scales and is capable of describing self-consistent hydrodynamiceffects on molecular motion at a computational cost which scales linearly withboth solute size and solvent volume. For an application of our multiscalemethod, we consider the much studied problem of biopolymer translocationthrough nanopores: we find that the method reproduces with remarkable accuracythe statistical scaling behavior of the translocation process and providesvaluable insight into the cooperative aspects of biopolymer and hydrodynamicmotion.

Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows