Nanoelectronics – theory and simulation
- Theory and simulation of electronic transport properties of
- Density functional theory, nonequilibrium Green's functions,
- First-principles modeling of current-induced phenomena,
electron-phonon coupling, inelastic scattering, and local heating,
- Nanoelectronics/Molecular electronics,
- monatomic chains, fullerenes, and carbon nanostructures,
- Reaction dynamics, adsorbates on metal surfaces.