My research is mainly focused on the theoretical description of the electronic properties of nanostructured materials, in particular fr use in molecular electronics. Molecular electronics represents an exciting low-cost, nano-scale alternative  to the conventional semi conductor devices which are becoming increasingly difficult to reduce in size. My primary motivation is to establish and develop better understanding quantum transport phenomena (electrical current) at the nano scale. We make extensive use of computer simulations to solve the equations of motion for the electrons. More specifically we apply density functional theory, semi empirical tight-binding schemes, and Green's function theory.