| Influence of the exchange screening parameter on the performance of screened hybrid functionals AV Krukau, OA Vydrov, AF Izmaylov, GE Scuseria The Journal of chemical physics 125 (22), 224106, 2006 | 4427 | 2006 |
| Can short-range hybrids describe long-range-dependent properties? TM Henderson, AF Izmaylov, G Scalmani, GE Scuseria The Journal of chemical physics 131 (4), 044108, 2009 | 407 | 2009 |
| Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems AF Izmaylov, GE Scuseria, MJ Frisch The Journal of chemical physics 125 (10), 104103, 2006 | 229 | 2006 |
| The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals TM Henderson, AF Izmaylov, GE Scuseria, A Savin The Journal of chemical physics 127 (22), 221103, 2007 | 184 | 2007 |
| Accurate solid-state band gaps via screened hybrid electronic structure calculations EN Brothers, AF Izmaylov, JO Normand, V Barone, GE Scuseria The Journal of chemical physics 129 (1), 011102, 2008 | 182 | 2008 |
| Assessment of a middle-range hybrid functional TM Henderson, AF Izmaylov, GE Scuseria, A Savin Journal of chemical theory and computation 4 (8), 1254-1262, 2008 | 145 | 2008 |
| Qubit coupled-cluster method: A systematic approach to quantum chemistry on a quantum computer IG Ryabinkin, TC Yen, SN Genin, AF Izmaylov J. Chem Theory Comput. 14, 6317-6326, 2018 | 129 | 2018 |
| Measurement Optimization in the Variational Quantum Eigensolver Using a Minimum Clique Cover V Verteletskyi, TC Yen, AF Izmaylov J. Chem. Phys. 152, 124114, 2020 | 128 | 2020 |
| Unitary partitioning approach to the measurement problem in the Variational Quantum Eigensolver method AF Izmaylov, TC Yen, RA Lang, V Verteletskyi J. Chem. Theory Comput. 16 (1), 190-195, 2020 | 100 | 2020 |
| Measuring all compatible operators in one series of a single-qubit measurements using unitary transformations TC Yen, V Verteletskyi, AF Izmaylov J. Chem. Theory Comput. 16 (4), 2400-2409, 2020 | 96 | 2020 |
| Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree–Fock-type … AF Izmaylov, GE Scuseria The Journal of chemical physics 129 (3), 034101, 2008 | 85 | 2008 |
| Nonequilibrium Fermi golden rule for electronic transitions through conical intersections AF Izmaylov, D Mendive–Tapia, MJ Bearpark, MA Robb, JC Tully, ... The Journal of chemical physics 135 (23), 234106, 2011 | 82 | 2011 |
| Iterative Qubit Coupled Cluster approach with efficient screening of generators IG Ryabinkin, RA Lang, SN Genin, AF Izmaylov J. Chem. Theory Comput. 16 (2), 1055-1063, 2020 | 76 | 2020 |
| Constrained variational quantum eigensolver: Quantum computer search engine in the Fock space IG Ryabinkin, SN Genin, AF Izmaylov J. Chem. Theory Comp. 15, 249-255, 2019 | 76 | 2019 |
| Geometric phase effects in dynamics near conical intersections: Symmetry breaking and spatial localization IG Ryabinkin, AF Izmaylov Physical Review Letters 111 (22), 220406, 2013 | 73 | 2013 |
| Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections IG Ryabinkin, L Joubert-Doriol, AF Izmaylov Accounts of Chemical Research 50, 1785-1793, 2017 | 68 | 2017 |
| Resolution of the identity atomic orbital Laplace transformed second order Møller–Plesset theory for nonconducting periodic systems AF Izmaylov, GE Scuseria Physical Chemistry Chemical Physics 10 (23), 3421-3429, 2008 | 65 | 2008 |
| Terahertz spectroscopy of enantiopure and racemic polycrystalline valine MRC Williams, AB True, AF Izmaylov, TA French, K Schroeck, ... Physical Chemistry Chemical Physics 13 (24), 11719-11730, 2011 | 64 | 2011 |
| When do we need to account for the geometric phase in excited state dynamics? IG Ryabinkin, L Joubert-Doriol, AF Izmaylov The Journal of Chemical Physics 140 (21), 214116, 2014 | 62 | 2014 |
| Fast numerical evaluation of time-derivative nonadiabatic couplings for mixed quantum-classical methods IG Ryabinkin, J Nagesh, AF Izmaylov J. Phys. Chem. Lett. 6, 4200-4203, 2015 | 60 | 2015 |
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerified email at rice.edu
