Research topics

• Theory and simulation of electronic transport properties of nanoscale systems
• Electronic structure theory and applications of Density Functional Theory
• Quantum transport and nonequilibrium Green's functions (NEGF)
• First-principles modeling of current-induced phenomena
• Electron-phonon coupling, inelastic scattering, and local heating
• Nanoelectronics/molecular electronics
• Fullerenes and carbon nanostructures
• Reaction dynamics and adsorbates on surfaces
• Magnetism in open-shell nanographenes
• Light emission in single-molecule junctions