GPU and Multi-core based Reaction Ensemble Monte Carlo method for non-ideal thermodynamic systems

A Graphics Processing Unit (GPU)-CUDA C and (Multi-core)-OpenMP versions of the Reaction Ensemble Monte Carlo method (REMC) are presented. The REMC algorithm is a powerful tool to investigate the equilibrium behavior of chemically reacting systems in highly non-ideal conditions. Both the GPU and the Multi-core versions of the code are particularly efficient when the total potential energy of the system must be calculated, as in the constant-pressure systems. Results, obtained in the case of Helium plasma at high pressure, show differences between real and ideal cases.