- Electronic quantum charge transport through junctions at the nanoscale, molecular contacts, 1D and 2D systems, bulk heterostructures; Green’s function Landauer formalism and Wannier functions - based implementation for efficient transport calculations on realistically complex quantum contacts and functionalized systems.

- Spin-dependent conductivities for spintronics applications; magnetic molecular spin valves and extended heterostructures; electronic transverse transport, anomalous, spin-, inverse spin-Hall effect, Nerst effect, spin-orbit torque, topological transport.

- Thermal transport, Seebeck coefficients, semiclassical Boltzmann transport equation solved through Wannier interpolation of band energies and their derivative, phonon scattering, heat conduction through collective phonon excitations, screening of thermoelectrics from homogeneous bulk systems to possibly functionalized 1D and 2D quantum systems.

Keywords: electronic and thermal conductivities, Seebeck coefficients, thermoelectrics, electronic transverse transport, anomalous, spin-, inverse spin-Hall effect, Nerst effect, spin-orbit torque, topological transport, nanoscale junctions, molecular contacts, 2D systems, ballistic transport, spin-dependent electronic conductivity through heterotructures.