Carrying out molecular Dynamics simulations is a relevant way for understanding growth phenomena at the atomic scale. Initial conditions are defined for reproducing deposition conditions of plasma sputtering experiments. Two case studies are developed for highlighting the implementation of molecular dynamics simulations in the context of plasma sputtering deposition: ZrxCu1-x metallic glass and AlCoCrCuFeNi high entropy alloy thin films deposited onto silicon. Effects of depositing atom kinetic energies and atomic composition are studied in order to predict evolution of morphologies and atomic structure of MD grown thin films. Experimental and simulated X-ray diffraction patterns are compared.