The research of the MM division focuses on atomistic computer simulations and modelling of structure formation processes, materials modification and materials properties.
Depending on the relevant time and length scales, we use density functional theory calculations (e.g. for static materials properties), molecular dynamics based on analytical potentials (e.g. for simulating processes on short time scales) and Monte Carlo simulation techniques (e.g. for growth simulations on macroscopic time scales).
In addition to applying existing methods to various systems, we also work on improving these. A particular focus is on developing analytical potentials for accurate molecular dynamics simulations.