Cluster is an aggregated material which consists of a few to thousand atoms.
In order to understand the nonlinear effect by cluster, the dynamics of collisional process between cluster and solid surface should be examined. MD simulation is one method of computer simulation to solve numerically the Newton's equation of motion for each atom in the system using difference equation technique, so MD can make it possible to trace the time evolution of coordinates and velocity for every atom with high resolution. The basic theory of molecular dynamics and the acceleration method are described in chapter 2. For this study, the original MD program was developed, which can accelerate the calculation speed of collisional process of high-energy atoms with a solid surface by applying different timestep to each atom depending on its velocity. Due to this acceleration technique and recent progress in computers, it can be possible to simulate the system with a large number of atoms, or more than hundred simulations in order to obtain statistics.