John M. Herbert

Mentor Faculty
Department of Chemistry & Biochemistry


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.

  • PhD, University of Wisconsin–Madison, WI

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