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Artur F. Izmaylov, Ph.D. - Publications

Affiliations: 
Rice University, Houston, TX 
Area:
Quantum Chemistry
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68 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Loaiza I, Izmaylov AF. Block-Invariant Symmetry Shift: Preprocessing Technique for Second-Quantized Hamiltonians to Improve Their Decompositions to Linear Combination of Unitaries. Journal of Chemical Theory and Computation. 19: 8201-8209. PMID 37939198 DOI: 10.1021/acs.jctc.3c00912  0.303
2023 Lang RA, Ganeshram A, Izmaylov AF. Growth Reduction of Similarity-Transformed Electronic Hamiltonians in Qubit Space. Journal of Chemical Theory and Computation. 19: 6656-6667. PMID 37715716 DOI: 10.1021/acs.jctc.3c00712  0.34
2022 Asaad M, Joubert-Doriol L, Izmaylov AF. Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest. The Journal of Chemical Physics. 156: 204121. PMID 35649883 DOI: 10.1063/5.0087797  0.306
2020 Lang RA, Ryabinkin IG, Izmaylov AF. Unitary Transformation of the Electronic Hamiltonian with an Exact Quadratic Truncation of the Baker-Campbell-Hausdorff Expansion. Journal of Chemical Theory and Computation. PMID 33295175 DOI: 10.1021/acs.jctc.0c00170  0.718
2020 Izmaylov AF, Díaz-Tinoco M, Lang RA. On the order problem in construction of unitary operators for the variational quantum eigensolver. Physical Chemistry Chemical Physics : Pccp. PMID 32510066 DOI: 10.1039/D0Cp01707H  0.378
2020 Verteletskyi V, Yen TC, Izmaylov AF. Measurement optimization in the variational quantum eigensolver using a minimum clique cover. The Journal of Chemical Physics. 152: 124114. PMID 32241154 DOI: 10.1063/1.5141458  0.376
2020 Yen TC, Verteletskyi V, Izmaylov AF. Measuring all compatible operators in one series of single-qubit measurements using unitary transformations. Journal of Chemical Theory and Computation. PMID 32150412 DOI: 10.1021/Acs.Jctc.0C00008  0.374
2020 Ryabinkin IG, Lang RA, Genin SN, Izmaylov AF. Iterative Qubit Coupled Cluster approach with efficient screening of generators. Journal of Chemical Theory and Computation. PMID 31935085 DOI: 10.1021/Acs.Jctc.9B01084  0.726
2019 Izmaylov AF, Yen TC, Lang RA, Verteletskyi V. Unitary partitioning approach to the measurement problem in the Variational Quantum Eigensolver method. Journal of Chemical Theory and Computation. PMID 31747266 DOI: 10.1021/Acs.Jctc.9B00791  0.406
2019 Yen TC, Lang RA, Izmaylov AF. Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer. The Journal of Chemical Physics. 151: 164111. PMID 31675900 DOI: 10.1063/1.5110682  0.457
2019 Izmaylov AF, Yen TC, Ryabinkin IG. Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators? Chemical Science. 10: 3746-3755. PMID 31015918 DOI: 10.1039/C8Sc05592K  0.702
2019 Izmaylov AF. On Construction of Projection Operators. The Journal of Physical Chemistry. A. PMID 30916963 DOI: 10.1021/Acs.Jpca.9B01103  0.347
2018 Loaiza I, Izmaylov AF. On the breakdown of the Ehrenfest method for molecular dynamics on surfaces. The Journal of Chemical Physics. 149: 214101. PMID 30525721 DOI: 10.1063/1.5055768  0.434
2018 Ryabinkin IG, Genin SN, Izmaylov AF. Relation between fermionic and qubit mean fields in the electronic structure problem. The Journal of Chemical Physics. 149: 214105. PMID 30525719 DOI: 10.1063/1.5055357  0.716
2018 Ryabinkin IG, Genin SN, Izmaylov AF. Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space. Journal of Chemical Theory and Computation. PMID 30512959 DOI: 10.1021/Acs.Jctc.8B00943  0.74
2018 Ryabinkin IG, Yen TC, Genin SN, Izmaylov AF. Qubit coupled cluster method: A systematic approach to quantum chemistry on a quantum computer. Journal of Chemical Theory and Computation. PMID 30427679 DOI: 10.1021/Acs.Jctc.8B00932  0.725
2018 Joubert-Doriol L, Izmaylov AF. Nonadiabatic Quantum Dynamics with Frozen-Width Gaussians. The Journal of Physical Chemistry. A. PMID 29781620 DOI: 10.1021/Acs.Jpca.8B03404  0.482
2018 Joubert-Doriol L, Izmaylov AF. Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure. The Journal of Chemical Physics. 148: 114102. PMID 29566517 DOI: 10.1063/1.5020655  0.447
2018 Henshaw S, Izmaylov AF. Topological Origins of Bound States in the Continuum for Systems with Conical Intersections. The Journal of Physical Chemistry Letters. 9: 146-149. PMID 29260570 DOI: 10.1021/Acs.Jpclett.7B02791  0.332
2018 Daoud H, Joubert-Doriol L, Izmaylov AF, Dwayne Miller R. Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection Chemical Physics. 515: 28-35. DOI: 10.1016/J.Chemphys.2018.08.034  0.32
2017 Li J, Joubert-Doriol L, Izmaylov AF. Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study. The Journal of Chemical Physics. 147: 064106. PMID 28810773 DOI: 10.1063/1.4985925  0.39
2017 Ryabinkin IG, Joubert-Doriol L, Izmaylov AF. Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections. Accounts of Chemical Research. PMID 28665584 DOI: 10.1021/Acs.Accounts.7B00220  0.75
2017 Joubert-Doriol L, Izmaylov AF. Molecular "topological insulators": a case study of electron transfer in the bis(methylene) adamantyl carbocation. Chemical Communications (Cambridge, England). PMID 28603800 DOI: 10.1039/C7Cc02275A  0.374
2017 Izmaylov AF, Joubert-Doriol L. Quantum Nonadiabatic Cloning of Entangled Coherent States. The Journal of Physical Chemistry Letters. 1793-1797. PMID 28375623 DOI: 10.1021/Acs.Jpclett.7B00596  0.47
2017 Ryabinkin IG, Izmaylov AF. Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories. The Journal of Physical Chemistry Letters. 440-444. PMID 28036176 DOI: 10.1021/Acs.Jpclett.6B02712  0.723
2017 Joubert-Doriol L, Sivasubramanium J, Ryabinkin IG, Izmaylov AF. Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics. The Journal of Physical Chemistry Letters. 452-456. PMID 28036173 DOI: 10.1021/Acs.Jpclett.6B02660  0.739
2017 Sivanesan U, Tsang K, Izmaylov AF. Explaining electric conductivity using the particle-in-a-box model: quantum superposition is the key Canadian Journal of Physics. 95: 1181-1188. DOI: 10.1139/Cjp-2017-0158  0.35
2016 Nagesh J, Frisch MJ, Brumer P, Izmaylov AF. Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism. The Journal of Chemical Physics. 145: 244111. PMID 28049322 DOI: 10.1063/1.4972990  0.422
2016 Izmaylov AF, Franco I. Entanglement in the Born-Oppenheimer Approximation. Journal of Chemical Theory and Computation. PMID 27959533 DOI: 10.1021/Acs.Jctc.6B00959  0.388
2016 Stojanović L, Bai S, Nagesh J, Izmaylov AF, Crespo-Otero R, Lischka H, Barbatti M. New Insights into the State Trapping of UV-Excited Thymine. Molecules (Basel, Switzerland). 21. PMID 27886099 DOI: 10.3390/Molecules21111603  0.377
2016 Izmaylov AF, Li J, Joubert-Doriol L. A diabatic definition of geometric phase effects. Journal of Chemical Theory and Computation. PMID 27723314 DOI: 10.1021/Acs.Jctc.6B00760  0.443
2016 Gherib R, Ye L, Ryabinkin IG, Izmaylov AF. On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods. The Journal of Chemical Physics. 144: 154103. PMID 27389205 DOI: 10.1063/1.4945817  0.723
2016 Klinkova A, Cherepanov PV, Ryabinkin IG, Ho M, Ashokkumar M, Izmaylov AF, Andreeva DV, Kumacheva E. Shape-Dependent Interactions of Palladium Nanocrystals with Hydrogen. Small (Weinheim An Der Bergstrasse, Germany). PMID 26997362 DOI: 10.1002/Smll.201600015  0.632
2016 Gherib R, Ye L, Ryabinkin IG, Izmaylov AF. On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods Journal of Chemical Physics. 144. DOI: 10.1063/1.4945817  0.713
2015 Gherib R, Ryabinkin IG, Izmaylov AF. Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase Effects. Journal of Chemical Theory and Computation. 11: 1375-82. PMID 26574349 DOI: 10.1021/Acs.Jctc.5B00072  0.734
2015 Ryabinkin IG, Nagesh J, Izmaylov AF. Fast Numerical Evaluation of Time-Derivative Nonadiabatic Couplings for Mixed Quantum-Classical Methods. The Journal of Physical Chemistry Letters. 6: 4200-3. PMID 26538034 DOI: 10.1021/Acs.Jpclett.5B02062  0.721
2015 Joubert-Doriol L, Izmaylov AF. Problem-free time-dependent variational principle for open quantum systems. The Journal of Chemical Physics. 142: 134107. PMID 25854228 DOI: 10.1063/1.4916384  0.452
2015 Nagesh J, Izmaylov AF, Brumer P. An efficient implementation of the localized operator partitioning method for electronic energy transfer. The Journal of Chemical Physics. 142: 084114. PMID 25725719 DOI: 10.1063/1.4908564  0.401
2015 Gherib R, Ryabinkin IG, Izmaylov AF. Why do mixed quantum-classical methods describe short-time dynamics through conical intersections so well? Analysis of geometric phase effects Journal of Chemical Theory and Computation. 11: 1375-1382. DOI: 10.1021/acs.jctc.5b00072  0.697
2014 Joubert-Doriol L, Ryabinkin IG, Izmaylov AF. Non-stochastic matrix Schrödinger equation for open systems. The Journal of Chemical Physics. 141: 234112. PMID 25527924 DOI: 10.1063/1.4903829  0.696
2014 Endicott JS, Joubert-Doriol L, Izmaylov AF. A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model. The Journal of Chemical Physics. 141: 034104. PMID 25053298 DOI: 10.1063/1.4887258  0.474
2014 Ryabinkin IG, Joubert-Doriol L, Izmaylov AF. When do we need to account for the geometric phase in excited state dynamics? The Journal of Chemical Physics. 140: 214116. PMID 24907999 DOI: 10.1063/1.4881147  0.715
2014 Ryabinkin IG, Hsieh CY, Kapral R, Izmaylov AF. Analysis of geometric phase effects in the quantum-classical Liouville formalism. The Journal of Chemical Physics. 140: 084104. PMID 24588145 DOI: 10.1063/1.4866366  0.739
2013 Joubert-Doriol L, Ryabinkin IG, Izmaylov AF. Geometric phase effects in low-energy dynamics near conical intersections: a study of the multidimensional linear vibronic coupling model. The Journal of Chemical Physics. 139: 234103. PMID 24359348 DOI: 10.1063/1.4844095  0.72
2013 Ryabinkin IG, Izmaylov AF. Geometric phase effects in dynamics near conical intersections: symmetry breaking and spatial localization. Physical Review Letters. 111: 220406. PMID 24329431 DOI: 10.1103/Physrevlett.111.220406  0.696
2013 Izmaylov AF. Perturbative wave-packet spawning procedure for non-adiabatic dynamics in diabatic representation. The Journal of Chemical Physics. 138: 104115. PMID 23514473 DOI: 10.1063/1.4794047  0.355
2011 Izmaylov AF, Mendive-Tapia D, Bearpark MJ, Robb MA, Tully JC, Frisch MJ. Nonequilibrium Fermi golden rule for electronic transitions through conical intersections. The Journal of Chemical Physics. 135: 234106. PMID 22191863 DOI: 10.1063/1.3667203  0.44
2011 Williams MR, True AB, Izmaylov AF, French TA, Schroeck K, Schmuttenmaer CA. Terahertz spectroscopy of enantiopure and racemic polycrystalline valine. Physical Chemistry Chemical Physics : Pccp. 13: 11719-30. PMID 21603704 DOI: 10.1039/C1Cp20594C  0.303
2010 Shenvi N, Izmaylov AF. Active-space N-representability constraints for variational two-particle reduced density matrix calculations. Physical Review Letters. 105: 213003. PMID 21231299 DOI: 10.1103/Physrevlett.105.213003  0.373
2009 Henderson TM, Izmaylov AF, Scalmani G, Scuseria GE. Can short-range hybrids describe long-range-dependent properties? The Journal of Chemical Physics. 131: 044108. PMID 19655838 DOI: 10.1063/1.3185673  0.474
2008 Henderson TM, Izmaylov AF, Scuseria GE, Savin A. Assessment of a Middle-Range Hybrid Functional. Journal of Chemical Theory and Computation. 4: 1254-62. PMID 26631701 DOI: 10.1021/Ct800149Y  0.515
2008 Izmaylov AF, Scuseria GE. 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 exchange introduce excitonic effects? The Journal of Chemical Physics. 129: 034101. PMID 18647010 DOI: 10.1063/1.2953701  0.535
2008 Brothers EN, Izmaylov AF, Normand JO, Barone V, Scuseria GE. Accurate solid-state band gaps via screened hybrid electronic structure calculations. The Journal of Chemical Physics. 129: 011102. PMID 18624460 DOI: 10.1063/1.2955460  0.712
2008 Izmaylov AF, Scuseria GE. Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems. Physical Chemistry Chemical Physics : Pccp. 10: 3421-9. PMID 18535725 DOI: 10.1039/B803274M  0.5
2008 Izmaylov AF, Scuseria GE. Analytical infrared intensities for periodic systems with local basis sets Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.165131  0.509
2008 Brothers EN, Izmaylov AF, Scuseria GE, Kudin KN. Analytically calculated polarizability of carbon nanotubes: Single wall, coaxial, and bundled systems Journal of Physical Chemistry C. 112: 1396-1400. DOI: 10.1021/Jp709931R  0.675
2008 Henderson TM, Izmaylov AF, Scuseria GE, Savin A. Assessment of a middle-range hybrid functional Journal of Chemical Theory and Computation. 4: 1254-1262. DOI: 10.1021/ct800149y  0.347
2007 Henderson TM, Izmaylov AF, Scuseria GE, Savin A. The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals. The Journal of Chemical Physics. 127: 221103. PMID 18081380 DOI: 10.1063/1.2822021  0.499
2007 Brothers EN, Izmaylov AF, Rusakov AA, Scuseria GE. On calculating a polymer's enthalpy of formation with quantum chemical methods. The Journal of Physical Chemistry. B. 111: 13869-72. PMID 18031031 DOI: 10.1021/Jp076975O  0.503
2007 Izmaylov AF, Scuseria GE. Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic nonconducting systems. The Journal of Chemical Physics. 127: 144106. PMID 17935385 DOI: 10.1063/1.2790024  0.552
2007 Izmaylov AF, Staroverov VN, Scuseria GE, Davidson ER. Self-consistent effective local potentials. The Journal of Chemical Physics. 127: 084113. PMID 17764235 DOI: 10.1063/1.2768351  0.683
2007 Izmaylov AF, Staroverov VN, Scuseria GE, Davidson ER, Stoltz G, Cancès E. The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques. The Journal of Chemical Physics. 126: 084107. PMID 17343440 DOI: 10.1063/1.2434784  0.679
2006 Krukau AV, Vydrov OA, Izmaylov AF, Scuseria GE. Influence of the exchange screening parameter on the performance of screened hybrid functionals. The Journal of Chemical Physics. 125: 224106. PMID 17176133 DOI: 10.1063/1.2404663  0.72
2006 Izmaylov AF, Brothers EN, Scuseria GE. Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems. The Journal of Chemical Physics. 125: 224105. PMID 17176132 DOI: 10.1063/1.2404667  0.557
2006 Izmaylov AF, Scuseria GE, Frisch MJ. Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems. The Journal of Chemical Physics. 125: 104103. PMID 16999511 DOI: 10.1063/1.2347713  0.541
2006 Izmaylov AF, Goker A, Friedman BA, Nordlander P. Transient current in a quantum dot subject to a change in coupling to its leads Journal of Physics Condensed Matter. 18: 8995-9006. DOI: 10.1088/0953-8984/18/39/028  0.393
2005 Izmaylov AF, Shchegoleva LN, Scuseria GE, Zaitsevskii A. Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory. Physical Chemistry Chemical Physics : Pccp. 7: 3933-7. PMID 19810321 DOI: 10.1039/B509805J  0.461
2004 Izmaylov AF, Adamson SO, Zaitsevskii A. Multipartitioning many-body perturbation theory calculations on temporary anions: Applications to N2 - and CO- Journal of Physics B: Atomic, Molecular and Optical Physics. 37: 2321-2329. DOI: 10.1088/0953-4075/37/11/009  0.338
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