Three-dimensional rotational Langevin dynamics and the Lebwohl-Lasher model.

We introduce a new scheme for molecular-dynamics simulation of three-dimensional systems exhibiting rotational motions. The procedure is based on the Langevin dynamics method. Our paper is focused on the Lebwohl-Lasher model in order to simulate the isotropic-nematic transition of liquid crystals. In contrast to previous dynamic approximations, our approach allows one to reproduce well the isotropic phase of these systems.