Research interests

  1. Control and imaging of ultrafast electron dynamics in nanostructures

  2. Many-electron dynamics of "open" electronic systems is investigated using systematically improvable wave function based methods. We have developed explicitly time-dependent configuration interaction schemes to treat the effect of energy exchange between a susbsystem and its environment. We develop problem-specific models for energy transfer based on perturbation theory and the Lindblad semigroup formalism. Prototypical applications range from laser-driven dynamics in molecules, to the control of electron flow in heterostructures and semiconductors. Part of our research is concerned with imaging the ultrafast electron transfer and charge migration from the time-evolution of the many-body wave function. For this purpose, we develop numerical tools to post-process wave function data from standard quantum chemistry packages.

  3. Vibrational quantum dynamics of molecules in metallic environments

  4. We study the dynamics of simple fundamental reactions, such as diffusion at and scattering from surfaces, or selective vibrational excitation and photodissociation of adsorbates, as well as the mechanisms of catalysis at nanostructured interfaces. We develop control strategies based pulse shaping and scanning tunneling spectroscopy. The dynamical evolution of these systems is strongly influenced by energy transfer with their environment, for which we develop microscopic models. We are also developing potential energy surfaces and force fields for adsorbate-metal systems.

Design adapted from an original idea by bryant smith