The latest developments within the materials modelling program GULP will be presented, illustrating the methodological situation with regard to the lattice static and dynamical calculation of structure and properties from force-field methods for ionic environments.

The calculation of materials properties will be highlighted and the range of available mechanical and electrical properties discussed. Amongst the properties to be illustrated will be the elastic constants, the frequency dependant dielectric constants, Born charges, neutron scattering and thermal expansion. Beyond bulk materials, the prediction of crystal morphology will be examined. Approaches for both for in vacu and aqueous conditions will be presented, with the later based on a periodic solvation model.

Finally methods for enhancing the reliability of force-fields will be discussed, with particular emphasis on the inclusion of ligand field effects for transition metal oxides.