Search site

Institute for Materials Research

Materials modelling

Materials Modelling software includes:

  • Ab-initio Electronic Structure Software
  • CaSTEP Pseudopotential code
  • WIEN2k FLAPW code
  • Materials Studio and Cerius2 for Crystallographic Visualization
  • Molecular Dynamics (in IPSE)
  • Thermodynamic Software
  • FactSage
  • MTDATA
  • Phase-field software for 2D & 3D microstructure simulation.