Research Description

The Herbert group is interested in extending quantum electronic structure calculations to large systems, with applications to condensed-phase molecular spectroscopy.  In practice this means developing new algorithms based on better physics-based approximations to the underlying quantum mechanics, and/or more scalable computer algorithms.  We are major contributors to the Q-Chem quantum chemistry software package, and the development of robust and user-friendly software is a major part of our research effort.

Mentored Biophysics Students

• Narayanan Puthillathu Vasudevan
• Paige Bowling