A. Izmaylov

发表

Measurement optimization in the variational quantum eigensolver using a minimum clique cover.

Vladyslav Verteletskyi, Tzu-Ching Yen, A. Izmaylov, 2019, The Journal of chemical physics.

Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer.

Scott N. Genin, I. G. Ryabinkin, Tzu-Ching Yen, 2018, Journal of chemical theory and computation.

Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space.

Scott N. Genin, I. G. Ryabinkin, A. Izmaylov, 2018, Journal of chemical theory and computation.

Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems.

Michael J Frisch, Artur F Izmaylov, Gustavo E Scuseria, 2006, The Journal of chemical physics.

Influence of the exchange screening parameter on the performance of screened hybrid functionals.

Artur F Izmaylov, Gustavo E Scuseria, Oleg A Vydrov, 2006, The Journal of chemical physics.

Measuring all compatible operators in one series of single-qubit measurements using unitary transformations.

Tzu-Ching Yen, Vladyslav Verteletskyi, Artur F. Izmaylov, 2019, Journal of chemical theory and computation.

Deterministic improvements of quantum measurements with grouping of compatible operators, non-local transformations, and covariance estimates

Tzu-Ching Yen, A. Izmaylov, Aadithya Ganeshram, 2022, npj Quantum Information.

Explaining electric conductivity using the particle-in-a-box model: quantum superposition is the key

A. Izmaylov, Umaseh Sivanesan, K. Tsang, 2016, 1609.07359.

Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism.

M. Frisch, P. Brumer, A. Izmaylov, 2016, The Journal of chemical physics.

Iterative Qubit Coupled Cluster method with involutory linear combinations of Pauli products

Robert A. Lang, I. G. Ryabinkin, A. Izmaylov, 2020, 2002.05701.

On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods.

Rami Gherib, I. G. Ryabinkin, A. Izmaylov, 2016, The Journal of chemical physics.

On the order problem in construction of unitary operators for the variational quantum eigensolver.

Robert A. Lang, A. Izmaylov, Manuel Díaz-Tinoco, 2020, Physical chemistry chemical physics : PCCP.

Fidelity Overhead for Nonlocal Measurements in Variational Quantum Algorithms.

Peter D. Johnson, Tzu-Ching Yen, A. Izmaylov, 2022, The journal of physical chemistry. A.

New Insights into the State Trapping of UV-Excited 2 Thymine 3

Ljiljana Stojanović, M. Barbatti, H. Lischka, 2020 .

Nonadiabatic Quantum Dynamics with Frozen-Width Gaussians.

A. Izmaylov, Loïc Joubert-Doriol, 2018, The journal of physical chemistry. A.

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure.

A. Izmaylov, Loïc Joubert-Doriol, 2018, The Journal of chemical physics.

On the breakdown of the Ehrenfest method for molecular dynamics on surfaces.

A. Izmaylov, Ignacio Loaiza, 2018, The Journal of chemical physics.

A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model.

A. Izmaylov, Loïc Joubert-Doriol, J. Endicott, 2014, The Journal of chemical physics.

Reducing molecular electronic Hamiltonian simulation cost for Linear Combination of Unitaries approaches

N. Wiebe, A. Izmaylov, Ignacio Loaiza, 2022, 2208.08272.

Fluid fermionic fragments for optimizing quantum measurements of electronic Hamiltonians in the variational quantum eigensolver

A. Izmaylov, Seonghoon Choi, Ignacio Loaiza, 2022, 2208.14490.

Growth reduction of similarity transformed electronic Hamiltonians in qubit space

Robert A. Lang, A. Izmaylov, Aadithya Ganeshram, 2022, 2210.03875.

Assessment of various Hamiltonian partitionings for the electronic structure problem on a quantum computer using the Trotter approximation

Tzu-Ching Yen, A. Izmaylov, Luis A. Mart'inez-Mart'inez, 2022, 2210.10189.

Shape-Dependent Interactions of Palladium Nanocrystals with Hydrogen.

E. Kumacheva, M. Ashokkumar, I. G. Ryabinkin, 2016, Small.

Readout scheme for the Baby-MIND detector

Frank Raphael Cadoux, R. Tsenov, A. Mefodiev, 2016 .

Transient current in a quantum dot subject to a change in coupling to its leads

P. Nordlander, B. Friedman, A. Izmaylov, 2006 .

Ab initio study of temporary anions of benzene and fluorobenzenes using the multipartitioning many-body perturbation theory.

A. Zaitsevskii, G. Scuseria, A. Izmaylov, 2005, Physical chemistry chemical physics : PCCP.

Multipartitioning many-body perturbation theory calculations on temporary anions: applications to N-2 and CO-

A. Zaitsevskii, A. Izmaylov, S. Adamson, 2004 .

Efficient evaluation of analytic vibrational frequencies in Hartree-Fock and density functional theory for periodic nonconducting systems.

G. Scuseria, A. Izmaylov, 2007, The Journal of chemical physics.

Improving Quantum Measurements by Introducing "Ghost" Pauli Products.

Tzu-Ching Yen, A. Izmaylov, Seonghoon Choi, 2022, Journal of chemical theory and computation.

Mechanistic insights into cobalt(ii/iii)-catalyzed C–H oxidation: a combined theoretical and experimental study

G. A. Petersson, T., R., 2015, Chemical science.

Terahertz spectroscopy of enantiopure and racemic polycrystalline valine.

Charles A Schmuttenmaer, Artur F Izmaylov, T. A. French, 2011, Physical chemistry chemical physics : PCCP.

Analysis of geometric phase effects in the quantum-classical Liouville formalism.

Raymond Kapral, Ilya G Ryabinkin, Artur F Izmaylov, 2013, The Journal of chemical physics.

Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections.

Ilya G Ryabinkin, Artur F Izmaylov, Loïc Joubert-Doriol, 2017, Accounts of chemical research.

Quantum Kinetic Rates within the Nonequilibrium Steady State.

P. Brumer, A. Izmaylov, Kenneth A Jung, 2022, Journal of chemical theory and computation.

Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems.

G. Scuseria, E. Brothers, A. Izmaylov, 2006, The Journal of chemical physics.

Analytic gradients in variational quantum algorithms: Algebraic extensions of the parameter-shift rule to general unitary transformations

Robert A. Lang, Tzu-Ching Yen, A. Izmaylov, 2021, Physical Review A.

Unitary Transformation of the Electronic Hamiltonian with an Exact Quadratic Truncation of the Baker-Campbell-Hausdorff Expansion.

Robert A. Lang, I. G. Ryabinkin, A. Izmaylov, 2020, Journal of chemical theory and computation.

A posteriori corrections to the iterative qubit coupled cluster method to minimize the use of quantum resources in large-scale calculations

Scott N. Genin, I. G. Ryabinkin, A. Izmaylov, 2020, 2009.13622.

On the order problem in construction of unitary operators for the variational quantum eigensolver.

Robert A. Lang, A. Izmaylov, Manuel Díaz-Tinoco, 2020, Physical chemistry chemical physics : PCCP.

Iterative Qubit Coupled Cluster approach with efficient screening of generators.

Artur F. Izmaylov, Robert A. Lang, Scott N. Genin, 2019, Journal of chemical theory and computation.

Revising measurement process in the variational quantum eigensolver: Is it possible to reduce the number of separately measured operators?

I. G. Ryabinkin, A. Izmaylov, Tzu-Ching Yen, 2018, 1810.11602.

Non-stochastic matrix Schrödinger equation for open systems.

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2014, The Journal of chemical physics.

Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer.

Robert A. Lang, Tzu-Ching Yen, A. Izmaylov, 2019, The Journal of chemical physics.

Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators?† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc05592k

Tzu-Ching Yen, Ilya G Ryabinkin, Artur F Izmaylov, 2019, Chemical science.

A quantum computing view on unitary coupled cluster theory.

Jakob S. Kottmann, Phillip W. K. Jensen, A. Aspuru‐Guzik, 2021, Chemical Society reviews.

Unitary partitioning approach to the measurement problem in the Variational Quantum Eigensolver method.

Tzu-Ching Yen, Vladyslav Verteletskyi, Artur F. Izmaylov, 2019, Journal of chemical theory and computation.

TEQUILA: a platform for rapid development of quantum algorithms

Teresa Tamayo-Mendoza, Jakob S. Kottmann, Sumner Alperin-Lea, 2020, Quantum Science and Technology.

Cartan Subalgebra Approach to Efficient Measurements of Quantum Observables

Tzu-Ching Yen, Artur F. Izmaylov, Tzu-Ching Yen, 2020, PRX Quantum.

Fast Numerical Evaluation of Time-Derivative Nonadiabatic Couplings for Mixed Quantum-Classical Methods.

Ilya G Ryabinkin, Jayashree Nagesh, Artur F Izmaylov, 2015, The journal of physical chemistry letters.

Relation between fermionic and qubit mean fields in the electronic structure problem.

Scott N. Genin, I. G. Ryabinkin, A. Izmaylov, 2018, The Journal of chemical physics.

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?

G. Scuseria, A. Izmaylov, 2008, The Journal of chemical physics.

New Insights into the State Trapping of UV-Excited Thymine

Ljiljana Stojanović, M. Barbatti, H. Lischka, 2016, Molecules.

Reducing molecular electronic Hamiltonian simulation cost for linear combination of unitaries approaches

N. Wiebe, A. Izmaylov, Ignacio Loaiza, 2022, Quantum Science and Technology.

A Hybrid Quantum-Classical Algorithm for Multichannel Quantum Scattering of Atoms and Molecules.

T. Tscherbul, A. Izmaylov, Alejandro Gomez Cadavid, 2023, The journal of physical chemistry letters.

Measurement optimization techniques for excited electronic states in near-term quantum computing algorithms

A. Izmaylov, Seonghoon Choi, 2023, 2302.11421.

Fluid fermionic fragments for optimizing quantum measurements of electronic Hamiltonians in the variational quantum eigensolver

A. Izmaylov, Seonghoon Choi, Ignacio Loaiza, 2022, Quantum.

Self-consistent effective local potentials.

E. Davidson, G. Scuseria, V. Staroverov, 2007, The Journal of chemical physics.

The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques.

E. Davidson, G. Scuseria, G. Stoltz, 2007, The Journal of chemical physics.

Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection

R. Miller, A. Izmaylov, H. Daoud, 2018, Chemical Physics.

Assessment of a Middle-Range Hybrid Functional.

G. Scuseria, A. Savin, T. M. Henderson, 2008, Journal of chemical theory and computation.

Analytical infrared intensities for periodic systems with local basis sets

G. Scuseria, A. Izmaylov, 2008, 0802.3385.

Can short-range hybrids describe long-range-dependent properties?

Giovanni Scalmani, Thomas M Henderson, Artur F Izmaylov, 2009, The Journal of chemical physics.

Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells

J. V. Ortiz, G. A. Petersson, K., 2020 .

The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals.

G. Scuseria, A. Savin, T. M. Henderson, 2007, The Journal of chemical physics.

Accurate solid-state band gaps via screened hybrid electronic structure calculations.

Edward N Brothers, Artur F Izmaylov, Gustavo E Scuseria, 2008, The Journal of chemical physics.

On Construction of Projection Operators.

A. Izmaylov, 2019, The journal of physical chemistry. A.

Measurement Optimization Techniques for Excited Electronic States in Near-Term Quantum Computing Algorithms.

A. Izmaylov, Seonghoon Choi, 2023, Journal of chemical theory and computation.

Geometric phase effects in low-energy dynamics near conical intersections: a study of the multidimensional linear vibronic coupling model.

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2013, The Journal of chemical physics.

Quantum Nonadiabatic Cloning of Entangled Coherent States.

A. Izmaylov, Loïc Joubert-Doriol, 2017, The journal of physical chemistry letters.

Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics.

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2016, The journal of physical chemistry letters.

Perturbative wave-packet spawning procedure for non-adiabatic dynamics in diabatic representation.

A. Izmaylov, 2013, The Journal of chemical physics.

Reducing the molecular electronic Hamiltonian encoding costs on quantum computers by symmetry shifts

A. Izmaylov, Ignacio Loaiza, 2023, 2304.13772.

Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study.

A. Izmaylov, Jiaru Li, Loïc Joubert-Doriol, 2017, The Journal of chemical physics.

Molecular "topological insulators": a case study of electron transfer in the bis(methylene) adamantyl carbocation.

A. Izmaylov, Loïc Joubert-Doriol, 2017, Chemical communications.

Quantum chemistry on quantum annealers

Scott N. Genin, I. G. Ryabinkin, A. Izmaylov, 2019, 1901.04715.

Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems.

Artur F Izmaylov, Gustavo E Scuseria, G. Scuseria, 2008, Physical chemistry chemical physics : PCCP.

Problem-free time-dependent variational principle for open quantum systems.

A. Izmaylov, Loïc Joubert-Doriol, 2015, The Journal of chemical physics.

Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase Effects.

Rami Gherib, I. G. Ryabinkin, A. Izmaylov, 2015, Journal of chemical theory and computation.

When do we need to account for the geometric phase in excited state dynamics?

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2014, The Journal of chemical physics.

Nonequilibrium Fermi golden rule for electronic transitions through conical intersections.

M. Frisch, M. Robb, M. Bearpark, 2011, The Journal of chemical physics.

Relativistic interactions in the radical pair model of magnetic field sense in CRY-1 protein of Arabidopsis thaliana.

M. Frisch, A. Izmaylov, J. Tully, 2009, The journal of physical chemistry. A.

Entanglement in the Born-Oppenheimer Approximation.

A. Izmaylov, I. Franco, 2016, Journal of chemical theory and computation.

Diabatic Definition of Geometric Phase Effects.

A. Izmaylov, Jiaru Li, Loïc Joubert-Doriol, 2016, Journal of chemical theory and computation.

On calculating a polymer's enthalpy of formation with quantum chemical methods.

G. Scuseria, E. Brothers, A. Izmaylov, 2007, The journal of physical chemistry. B.

Hyper-Kamiokande Design Report

J.Coleman, D.Fukuda, A.K.Ichikawa, 2018, 1805.04163.

I. G. Ryabinkin, A. Izmaylov, Tzu-Ching Yen, 2019, Chemical science.

Growth Reduction of Similarity-Transformed Electronic Hamiltonians in Qubit Space.

Robert A. Lang, A. Izmaylov, Aadithya Ganeshram, 2022, Journal of chemical theory and computation.

This paper is published as part of a PCCP Themed Issue on: Explicit-r12 Correlation Methods and Local Correlation Methods

G. Scuseria, J. Noga, S. Ten-no, 2008 .

How to define quantum mean-field solvable Hamiltonians using Lie algebras

Tzu-Ching Yen, A. Izmaylov, 2020, Quantum Science and Technology.

Constraint on the Matter-Antimatter Symmetry-Violating Phase in Neutrino Oscillations.

M. Hartz, T. Okusawa, Y. Seiya, 2019, 1910.03887.

Probing Quantum Efficiency: Exploring System Hardness in Electronic Ground State Energy Estimation

A. Izmaylov, Ignacio Loaiza, Luis A. Mart'inez-Mart'inez, 2023, 2311.00129.

Block-Invariant Symmetry Shift: Preprocessing Technique for Second-Quantized Hamiltonians to Improve Their Decompositions to Linear Combination of Unitaries.

A. Izmaylov, Ignacio Loaiza, 2023, Journal of Chemical Theory and Computation.

The T2K Side Muon Range Detector (SMRD)

T. Kutter, O. Perevozchikov, T. C. Nicholls, 2012, 1206.3553.

Assessment of various Hamiltonian partitionings for the electronic structure problem on a quantum computer using the Trotter approximation

Tzu-Ching Yen, A. Izmaylov, Luis A. Mart'inez-Mart'inez, 2022, Quantum.

Electronic Supplementary Information A Quantum Computing View on Unitary Coupled Cluster Theory

Jakob S. Kottmann, A. Aspuru‐Guzik, A. Anand, 2021 .

Physical Chemistry of Quantum Information Science.

A. Izmaylov, A. Alexandrova, Tanya Zelevinsky, 2023, The journal of physical chemistry. A.

Measurement optimization in the variational quantum eigensolver using a minimum clique cover.

Vladyslav Verteletskyi, Tzu-Ching Yen, A. Izmaylov, 2019, The Journal of chemical physics.

Extension of exactly-solvable Hamiltonians using symmetries of Lie algebras

Tzu-Ching Yen, A. Izmaylov, Smik Patel, 2023, 2305.18251.

Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest.

A. Izmaylov, Loïc Joubert-Doriol, M. Asaad, 2022, The Journal of chemical physics.

Geometric Phase Effects in Nonadiabatic Dynamics near Conical Intersections.

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2017, Accounts of chemical research.

Geometric phase effects in dynamics near conical intersections: symmetry breaking and spatial localization.

I. G. Ryabinkin, A. Izmaylov, 2013, Physical review letters.

Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study.

A. Izmaylov, Jiaru Li, Loïc Joubert-Doriol, 2017, Journal of Chemical Physics.

Topological Origins of Bound States in the Continuum for Systems with Conical Intersections.

A. Izmaylov, Sarah-Louise Henshaw, 2017, The journal of physical chemistry letters.

Topologically Correct Quantum Nonadiabatic Formalism for On-the-Fly Dynamics.

I. G. Ryabinkin, A. Izmaylov, Loïc Joubert-Doriol, 2016, The journal of physical chemistry letters.

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Gokul Subramanian Ravi, Jennifer R. Glick, Douglas M. Jennewein, 2024, Future Generation Computer Systems.