Physical Chemistry-Chemical Physics Seminar: Tim Berkelbach, Columbia University
Electronic excitations in solids: From models to methods
The accurate simulation of excited-state properties of solids is an outstanding challenge in computational materials science. In this talk, I will present our group's recent work in two complementary directions. First, I'll describe the construction of semiempirical models for excitons in low-dimensional solids such as transition-metal dichalcogenides and lead-halide perovskites. This work emphasizes the importance of heterogeneous dielectric environments and has enabled the simulation of band gaps, optical spectra, and time-resolved two-dimensional electronic spectroscopy. Second, I'll describe the development of ab initio wavefunction techniques, especially coupled-cluster theory, for excitations in solids. I will present applications to the lifetime of plasmons in metals and to the pump-probe spectroscopy of molecular crystals.
Host: Sandeep Sharma
Scheduling contact: Kayla Jones
Friday, January 24 at 4:00pm
JILA, JILA Auditorium
1900 Colorado Avenue, Boulder, CO 80309