Efficient parallel algorithms for the molecular-dynamics simulation involving three-body potential: application to the Axilrod-Teller Fluid at constant pressure

We present parallel algorithms for molecular dynamics, which are suitable for a small number of processors. These parallel methods are based on a spatial decomposition of the simulation box, that takes advantage of a linked-cell list. The test of the algorithms is conducted, in the case of the Axilrod-Teller fluid at constant pressure, by evaluating the speed-up induced by the various communications schemes involved. These methods seem promising for studying complex physical properties, i.e the dynamics of the glassy states and the structure at liquid-solid interface, which requires respectively long time scale simulations an small systems and large simulation bares.