Perspectives of the parallel computing techniques in chemical engineering - An example of the molecular dynamics method

This work presents implementation of the parallel computing technique for a simple example of determination of the gas isothermal compressibility coef ficient. It was done using the molecular dynamics method, which is based on the integration of the Newton's equations of motion for molecules in the L ennard-Jones force field, and applying the thermodynamic fluctuations theor em. Computing time for various processor numbers used by the application wa s compared. An increasing efficiency of the parallel computing with the inc rease of the problem complexity (number of considered particles) was emphas ised.