Assistant Professor of Chemistry, University of Toronto
Postdoctoral Fellow, Yale University
Ph.D., Chemistry, Rice University, Texas (2008)
M.S., Physical Chemistry, Moscow State University (2002)
Contributions to Gaussian: Efficient evaluation of full- and short-range Hartree Fock exchanges; linear response properties with Periodic Boundary Conditions: polarizabilities, harmonic frequencies, IR intensities; electronic spin-spin interaction
- Many-body methods
- Linear scaling techniques
- Quantum chemistry and dynamics in periodic systems
- Nonadiabatic dynamics
- A. F. Izmaylov, D. Mendive-Tapia, M. J. Bearpark, M.A. Robb, J.C. Tully, M.J. Frisch, “Nonequilibrium Fermi golden rule for electronic transitions through conical intersections,” J. Chem. Phys. 135 (2011) 234106.
- N. A. Shenvi and A. F. Izmaylov, “Active-space N-representability constraints for variational two-particle reduced density matrix calculations,” Phys. Rev. Lett. 105 (2010) 213003.
- A. F. Izmaylov, J. C. Tully, and M. J. Frisch, “Relativistic interactions in the radical pair model of magnetic field sense in CRY-1 protein of Arabidopsis thaliana,” J. Phys. Chem. A 113 (2009) 12276.
- A. F. Izmaylov and G. E. Scuseria, “Why are TD-DFT excitations in solids equal to band structure energy gaps for semilocal functionals and how does nonlocal Hartree-Fock type exchange introduce excitonic effects?”, J. Chem. Phys. 129 (2008) 034101.
- A. F. Izmaylov and G. E. Scuseria, “Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic non-conducting systems”, J. Chem. Phys. 127 (2007) 144106.
- A. F. Izmaylov, G. E. Scuseria, M. J. Frisch, “Efficient evaluation of short-range Hartree-Fock exchange for large molecules and periodic systems”, J. Chem. Phys. 125 (2006) 104103.
- A. F. Izmaylov, L. N. Shchegoleva, G. E. Scuseria, A. Zaitsevskii, “Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory”, Phys. Chem. Chem. Phys. 7 (2005) 3933.
Last update: 10 August 2016