ChemistryWestern Science

Viktor N. Staroverov

Viktor N. Staroverov

Contact Information

Title: Professor
Office: Rm 063 ChB
Lab: Rm 062 ChB
Phone (Office): ext 86317

Physical & Analytical Teaching Division

Theory and Computation

Quantum Chemistry, Electronic Structure Methods, Density-Functional Theory

Group Website


M.Sc., Brock University (1997); Ph.D., Indiana University (2001); Postdoctoral Fellow, Rice University



We develop theoretical methods and computer programs for studying electronic structure, physical properties, and chemical reactions of molecules and solids. The focus of our research is on the Kohn-Sham density-functional method, particularly on designing new density-functional approximations in the form of model Kohn-Sham potentials. We also use computational chemistry methods to solve practical problems of chemistry and spectroscopy. Applied computational research in our group centers on elucidating the mechanisms of chemical reactions, understanding the electronic structure of electrides, and unraveling the intricacies of chemical bonding in compounds under high pressure.

My Research Group Homepage


Selected Publications