Summary
Our group develops new theories and computational methods for understanding the electronic structure and dynamics of molecules and materials. A recurring goal is to make accurate quantum mechanical descriptions possible for complex, extended, and strongly interacting systems. Our research spans electronic structure theory, chemical reaction dynamics, and the quantum dynamics of energy and charge transport. We are particularly interested in building quantitative links between microscopic electronic and molecular interactions and the observable behavior of complex chemical and materials systems. We apply these approaches to problems ranging from batteries and catalysis to photosynthesis and other light-driven processes. Close collaborations with experimental groups at Columbia and elsewhere are an important part of our work.
See updated publication list on the Berkelbach group website here
