What We Do 

Our group's work is both theoretical and computational with a multidisciplinary emphasis on the intersection of physics, chemistry, and materials science. We use and develop ab initio or “first-principles” approaches, such as density functional theory, ab initio many-body perturbation theory within the the GW-BSE approach, wavefunction-based quantum chemistry methods, and data science and machine learning, to understand materials and the phenomena they exhibit over a wide range of system size and physical complexity.

We focus on a wide array of 3D and 2D crystalline and molecular systems, often with an emphasis on applications for energy technologies, quantum science, and information technology. As such, our work is often multidisciplinary and, via close interactions with experimental  and theoretical collaborators at UC Berkeley, LBNL, and worldwide, we work to both guide and explain cutting-edge measurements of real physical systems.