The simulation of quantum dynamical phenomena in condensed matter

A theoretical basis for largescale computer simulations of many-body quantum dynamical systems will be described. In this approach, called Centroid Molecular Dynamics (CMD), quantum time correlation functions are obtained from classical-like trajectories computed on an effective classical-like potential. Some applications of the methodology will also be presented at length, including migration of an excess proton in water and biomolecules, as well as electron transfer across the electrode/electrolyte interface if time allows. In both cases, the microscopic features which affect the dynamics of the quantum dynamical process will be described. Speculations on the future directions of the research, as well as related theoretical developments, will be presented