The Multiscale Materials Modelling (MMM) group focuses on the development and application of simulation methods based on density functional theory (DFT), empirical potentials (force fields), and kinetic Monte-Carlo (kMC). The main tool developed and employed by the group for its modelling activities is the CP2K program package. Focus areas are currently the modelling of strongly correlated materials based on DFT augmented with a Hubbard U term (DFT+U)
