Please join Yale Chemistry for a thesis seminar with Katelyn Laughon, Zhu Group.
Title: Accelerated Many-Body Green’s Function Methods for Electronic Spectra in Condensed Phases
Summary: Quantitatively accurate simulation of electronic spectra in condensed-phase systems is essential for technological advancement. This thesis seminar presents a set of approaches designed to accelerate Green’s function–based electronic structure predictions of solids and liquids. We begin by examining periodic coupled-cluster Green’s function methods with Brillouin-zone sampling for realistic solids. We then turn to the liquid phase, applying the quantum embedding framework of interacting-bath dynamical embedding theory to compute ionization potentials of solvated ions. Finally, we introduce a machine learning strategy that leverages mean-field features to predict many-body Green’s functions in solid-state materials.
