Evgeny Epifanovsky, Ph.D.

 


Staff Scientist for Q-Chem, Inc.

Zhenya

Dr. Epifanovsky obtained his B.Sc. in Chemistry from Moscow State University in 2004. In 2010, he received his Ph.D. in Physical Chemistry from the University of Southern California where he worked under the supervision of Anna I. Krylov. He has been a developer for Q-Chem since 2006, and in 2011 joined Q-Chem as a staff scientist.

Dr. Epifanovsky's research interests include the efficient computation of tensor algebra, and reduced-rank approximations in post-Hartree-Fock methods for ground and excited electronic states.

Evgeny Epifanovsky's publications:

(8) I. Polyakov, B. Grigorenko, E. Epifanovsky, A.I. Krylov, A.V. Nemukhin, "Potential energy landscape of the electronic states of the GFP chromophore in different protonation forms: Electronic transition energies and conical intersections" J. Chem. Theor. Comput., 6, 2377 2387 (2010)

(7) E. Epifanovsky, I. Polyakov, B. Grigorenko, A.V. Nemukhin, A.I. Krylov, "The effect of oxidation on the electronic structure of the green fluorescent protein chromophore" J. Chem. Phys., 132, 115104 (2010)

(6) I. Polyakov, E. Epifanovsky, B. Grigorenko, A.I. Krylov, A. Nemukhin, "Quantum chemical benchmark studies of the electronic properties of the green fluorescent protein chromophore: II. Cis-trans isomerization in water" J. Chem. Theor. Comput., 5, 1907 1914 (2009)

(5) E. Epifanovsky, I. Polyakov, B. Grigorenko, A. Nemukhin, A.I. Krylov, "Quantum chemical benchmark studies of the electronic properties of the green fluorescent protein chromophore: I. Absorption spectra of the anionic chromophore in the gas phase" J. Chem. Theor. Comput., 5, 1895 1906 (2009)

(4) B.C. Shepler, E. Epifanovsky, P. Zhang, J. Bowman, A.I. Krylov, K. Morokuma, "Photodissociation dynamics of formaldehyde initiated at the T1/S0 minimum energy crossing configuration" J. Phys. Chem. A, 112, 13267 13270 (2008)

(3) E. Epifanovsky, K. Kowalski, P.-D. Fan, M. Valiev, S. Matsika, A. I. Krylov, " On the electronically excited states of uracil" J. Phys. Chem. A, 112, 99839992 (2008)

(2) E. Epifanovsky, A.I. Krylov, "Direct location of the minimum point on intersection seams of potential energy surfaces with equation-of-motion coupled-cluster methods" Mol. Phys., 105, 2515 2525 (2007)

(1) A.V. Nemukhin, B.L. Grigorenko, A.V. Bochenkova, V.M. Kovba, E.M. Epifanovsky, "Structures of the peptide-water complexes studied by the hybrid quantum mechanical-molecular mechanical (QM/MM) technique" STRUCTURAL CHEMISTRY V15, N1, P3-9 (2004)