In my group I use a wide variety of numerical methods in order to simulate nanostructured devices. Drift-diffusion and Kinetic Monte Carlo for semiclassical approximations at a larger scale. Quantum mechanical transport numerical models with Non-equilibrium Green functions for atomistic systems. In the latter case the electrons are described using quantum mechanical formalism within Density Functional Theory.
Kinetic Monte Carlo
Non equilibrium Green functions
Multiscale methods for charge / heat transport for nano-meso scale devices