Dynamics of complex materials under high temperature and pressure

A fundamental understanding of the behaviour of materials has to be based on the study of the microscopic structure and its dynamics. These studies can be advanced by a combination of scattering experiments and computer simulations. We briefly review our recent molecular dynamics studies on fullerene and geophysical minerals, carried out using the BARC parallel computer ANUPAM. The MD simulations are used to derive the dynamical orientational correlations in the disordered phase of fullerene and to explain the neutron-diffuse-quasielastic scattering experiment. In the case of geophysical minerals, the simulations have provided a valuable microscopic understanding of the pressure-temperature variation of the structure and dynamics including melting.