PHY9038: Materials Modelling and Simulation
Due to the steady increase in computational power and the development of advanced simulation methods, computational modelling has become an almost indispensible tool in the analysis and developemnt of new materials. This module will introduce students to a range of theoretical and computational techniques used in the modelling and simulation of materials. It starts by refresing and consolidating the students programming skills, then reviews the important concepts in classical mechanics and statistical mechanics. The core topics of this module are: classical force fields and molecular dynamics. Within the module there is a hands-on component that involves writing a simple molecular dynamics package and a final assignment that involves reviewing a paper from the literature on simulation.