Computer simulation together with theory and experiments is one of the pillars over which modern science is based. Such simulations shed light on the result of experiments, offer precious insight, replace difficult or expensive experiment, can predict new phenomena.
Our focus is on the study at the atomistic level of condensed systems. In this context simulations can be though of as a form of microscopy that can reveal with the help of computer graphics the behavior of atoms in great microscopic detail.
The advent of ever more powerful computers is of course behind the rapid and pervasive development of computer simulations. However computer power alone cannot meet the need for more complex and accurate simulations. Powerful algorithms are also needed in order to exploit the computer power to the maximum.