"Explorations in X-ray Spectroscopies and Ultrafast Dynamics"
Dr. Niri Govind - Senior Scientist/Chief Scientist, Pacific Northwest National Laboratory
Hosts: Xiaosong Li and Munira Khalil

Probing and controlling the flow of charge within a molecule following photoexcitation is a fundamental requirement for the targeted synthesis of the next generation of molecules and materials designed for artificial light-harvesting, photochemical energy conversion, and photocatalysis. X-rays, by virtue of their atomic specificity, are ideal probes to study ultrafast processes and couplings in molecules and materials in non-equilibrium conditions. Extracting microscopic details from X-ray experiments hinges on our ability to simulate spectroscopic observables and dynamics. In this talk, I will present some of our time-dependent density functional (TDDFT) based theoretical efforts in this direction covering X-ray absorption near-edge spectroscopy (XANES), valence-to-core (VtC) X-ray emission, and resonant inelastic X-ray scattering (RIXS) and compare our findings with experiment. Finally, if time permits, I will present our recent work on many-body perturbation theory (MBPT) within the GW approach to explore X-ray photoelectron spectroscopy (XPS).

The Department of Chemistry is committed to providing access and accommodation. To make a request connected to a disability or health condition for this event, contact Cassie Davis at 206-543-1656 (voice) or chem59x@uw.edu.