elcome to the Centre for Molecular Simulation (CMS), established in 1999. CMS provides a focus for research in molecular simulation, providing fundamental insights into natural phenomena at the atomic level. CMS utilises Monte Carlo, equilibrium molecular dynamics and non-equilibrium molecular dynamics techniques which are used to explore a wide range of phenomena such as phase equilibria, transport phenomena and nanotechnology. CMS has developed into an interfaculty research centre with professors in the Faculties of Information & Communication Technologies, Life and Social Sciences; and Engineering and Industrial Science.