Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid Original Research Article

Long-range hydrodynamic interactions have been implemented into the open-source molecular dynamics package, LAMMPS, though the creation of a fix, lb_fluid. These interactions are treated by interpolating the MD particle density onto a discrete lattice, which is then coupled to the fluid. A thermal lattice-Boltzmann algorithm is used to model the fluid, which includes mass and momentum conserving noise, providing a thermostat for both the particles and the fluid.