University of California, Riverside

Department of Chemistry




Gregory Beran
Professor of Chemistry & Graduate Advisor


University of California, San Diego - B.S. (2000)
University of California, Berkeley - Ph.D. (2005)
Massachusetts Institute of Technology (MIT) - Postdoc. Fellow (2005-2007)

Office: 142 Chemical Sciences
Phone O/L: (951) 827-7869/3791
Research Area: Computational Chemistry, Materials Chemistry, Physical Chemistry
Group Site


The Beran group uses computational quantum chemistry to understand condensed-phase systems such as molecular crystals.  Like Legos, molecules can pack together in a variety of ways, or polymorphs, that exhibit different physical properties.  In practice, crystal packing affects properties ranging from the dissolution of a pharmaceutical in the body to the taste of chocolate.  Theory offers the potential to predict which polymorphs are most stable, to provide physical insights into the crystal packing, and even to engineer new crystal forms.

Predicting molecular crystal structures correctly requires a very accurate treatment of the intra- and intermolecular interactions, and this is often computationally prohibitive with standard electronic structure methods.  Therefore, much of our effort focuses on developing new electronic structure approximations that enable us to achieve reliable predictions with existing computational resources.  We also seek to fill the gap between theory and experiment by predicting experimentally observable crystal properties that can help with structure identification and other experimental challenges.  See the Beran group webpage for more information and a complete list of publications.

Selected Publications


More Information 

General Campus Information

University of California, Riverside
900 University Ave.
Riverside, CA 92521
Tel: (951) 827-1012

Department Information

Department of Chemistry
Chemical Sciences
501 Big Springs Road

Tel: (951) 827-3789 (Chair's Assistant)
Fax: (951) 827-2435 (confidential)