Ph.D. Chemistry, University of California, Berkeley B.S. Chemistry, Massachusetts Institute of Technology

My research interests involve the development and application of quantum mechanical models for the behavior of molecules, solids, and interfaces. One area focuses on the f-block lanthanide and actinide elements, whose increasing importance in technological applications is accompanied by concerns over the environmental impacts of their production and disposal. We are employing first-principles electronic structure techniques to characterize bonding in f-element complexes and materials. The motivation is the development of new chemical insights that will enable the sustainable and safe processing of f-element compounds. A second area is the study of interfaces formed between a solid oxide and liquid water using first-principles molecular dynamics simulations. As many important catalytic and environmental processes take place at oxide/water interfaces, we seek a fundamental understanding of the relationship between oxide surface structure, water ordering, and chemical reactivity.