Viktor N. Staroverov
Office: Rm 063 ChB
Lab: Rm 062 ChB
Phone (Office): ext 86317
Physical & Analytical Teaching Division
Quantum Chemistry, Electronic Structure Methods, Density-Functional Theory
M.Sc., Brock University (1997); Ph.D., Indiana University (2001); Postdoctoral Fellow, Rice University
- Keith Laidler Award, Canadian Society for Chemistry (2017)
- Florence Bucke Science Prize (2016)
- Faculty Scholar Award (2016)
- Discovery Accelerator Supplement, NSERC (2015)
- Early Researcher Award (2010)
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.
- 1301 - Discovering Chemical Structure
- 1302 - Discovering Chemical Energetics
- 3300 - Computer Methods in Chemistry
- 3374 - Quantum Chemistry and Spectroscopy
- 4474 - Advanced Quantum Chemistry and Spectroscopy
- 9648 - Computational Quantum Chemistry
- 9734 - Symmetry in Chemistry
- "Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals", S. V. Kohut, R. Cuevas-Saavedra, and V. N. Staroverov, J. Chem. Phys., 2016, 145, 074113.
- "Origin of the step structure of molecular exchange-correlation potentials", S. V. Kohut, A. M. Polgar, and V. N. Staroverov, Phys. Chem. Chem. Phys., 2016, 18, 20938.
- "Polymorphic transitions of diborane and sub- and near-megabar pressures", A. Torabi, C. Murli, Y. Song, and V. N. Staroverov, Sci. Rep., 2015, 5, 13929.
- "Reduction of electronic wavefunctions to Kohn–Sham effective potentials", I. G. Ryabinkin, S. V. Kohut, and V. N. Staroverov, Phys. Rev. Lett., 2015, 115, 083001.
- "Efficient electrochemiluminescence of a readily accessible boron difluoride formazanate dye", M. Hesari, S. M. Barbon, V. N. Staroverov, Z. Ding, and J. B. Gilroy, Chem. Commun., 2015, 51, 3766.