Molecular Dynamics (MD) has become a major tool in condensed matter physics
and chemistry. However useful results often require substantial computational
resource to produce. A major proportion of the University of Bath HPC facility
is spent on calculations on or related to MD. I will introduce the concepts
behind a MD simulation and provide motivation as to why a MD simulation is
worthwhile. Furthermore I will demonstrate how a naive O(N^2) approach to
computing the short range interactions can be improved to O(N) using cell
based algorithms.