Research Bio

Teresa Head-Gordon is a theoretical and computational chemist and biophysicist whose research develops and applies molecular modeling techniques to understand water structure, protein dynamics, and biomolecular interactions. Her work combines theory, simulation, and data-driven methods to explore the physical chemistry underlying biological processes. She is best known for advances in modeling water and solvation phenomena, as well as multiscale simulations that bridge quantum mechanics and molecular dynamics.
She is Professor in the Department of Bioengineering, Chemistry, and Chemical & Biomolecular Engineering at UC Berkeley, and a faculty scientist at Lawrence Berkeley National Laboratory.

Research Expertise and Interest

theoretical chemistry, Computational chemistry, machine learning, chemical physics, biophysics, biomolecules, materials, catalysis, computational science