Alkhaldi, Refah Saad Bazea2022-05-182022-05-18214https://drepo.sdl.edu.sa/handle/20.500.14154/60In this work we focus on the following: - Stochastic and Deterministic methods. - Types of models (NVT,NPT, ….etc.,). - Evolution equations of the system with choosing parameters. - Getting more accuracy solutions by different algorithms. - Solving many body problem by DFT theory. - Avoiding errors by using some approximations. - Identifying some potentials. - Having calculations in the Model - Results and discussion on our theoretical workenQuasiclassical Molecular Dynamics study of chemisorption of CO (vi,ji) Molecule on Pdn ClusterThesis