Material Modelling and Simulation

Material properties can be modelled on various length and time scales, ranging from nanometres to metres and from femtoseconds to minutes or even hours.

Multiscale modelling is the key to the deepest possible understanding of materials, and bridging scales is a major challenge in current materials science. Computer simulations are the principal tool for treating systems of practical importance. It has been a major breakthrough in materials science and engineering that the computer now offers help in reducing experimental efforts, for instance by calculating phase diagrams for multicomponent systems or using full processing simulations, and by theoretical estimates for many materials properties, often leading to a deeper understanding.