Aplicações de dinâmica molecular

Abstract

The present undergraduate thesis presents an introduction to the area of Computational Physics known as Molecular Dynamics, an area that presents simulation procedures that consists of the computational observation of the equilibrium and transport properties of a classical many-body system, these obeying the laws of classical mechanics, describing the variation of molecular behavior as a function of time. In this work, we seek to show the fundamentals of the Molecular Dynamics method, it's applications and implementations. Some examples will be shown and discussed in the present work, so that we can establish in a clearer way how this type of simulation works.