Department: Chemistry
Faculty Advisor: Xiaosong Li
I am a Ph.D. student in the Department of Chemistry, interested in theoretical and computational chemistry. Working under Xiaosong Li, my research focuses on using the principles of quantum mechanics and special relativity to study molecular systems. Heavy elements generate electrostatic potentials strong enough to accelerate nearby electrons to speeds approaching that of light. Without a relativistic treatment, the Schrödinger equation breaks down in this limit. Proper relativistic treatments are necessary to predict certain phenomena like phosphorescence, an essential process for many modern OLED and solar cell technologies. The goal of my research is to use relativistic calculations to elucidate the charge transfer dynamics upon photoexcitation and predict the chemical reactions that follow. This work is largely done in collaboration with experimental chemists, providing a framework to guide the design of new molecular phosphor candidates.