I am going to simulate impact behavior TiO2 nanoparticles with Molecular Dynamics. Please let me know which package is more proper based on your experience.
Ceramics or oxides may be treated by GULP code which is built for crystalline materials. Also, with GULP you can use a bunch of energetic models for oxides like TiO2. The potentials library consists to use the interatomic potentials from classical models to the more realistic potentials by self optimisation of the particle charges. The QEq which is the more adequate charge-variable potential can be easily included by taking and testing several data fits.