AI
Artur F. Izmaylov
quant-phphysics.chem-phphysics.comp-phAlgorithmscond-mat.mtrl-sciElectronscomputational theoretical chemistrycond-mat.mes-hallcs.DSfinite-difference formula
On Valency
published · living versionsW_8mqdw7f7·v1 · currentpublished
Efficient Block Encodings of Vibrational Hamiltonians
with Shashank G. Mehendale, Ignacio Loaiza, Shreyas Malpathak, Stepan Fomichev +1
1 version
Preprints & journals
103 papers in the corpus · 2005–2026Classical Active-Space Hybrid Quantum Subspace Expansion (CASH-QSE): Quantum Corrections without Remeasuring the Classically Calculable Energy2609.08170v2 · Artur F. Izmaylov2026 · 0 citationsarXiv
Accuracy and Resource Advantages of Quantum Eigenvalue Estimation with Non-Hermitian Transcorrelated Electronic Hamiltonians.42302194 · Uvarov, Alexey, Izmaylov, Artur F2026 · 0 citationsJournal of chemical theory and computation. 2026;22(13):6431-6443
Resource-efficient energy-based operator selection in fermionic ADAPT-VQE via exact Hamiltonian transformation2606.04786v2 · Emanuele Rossi, Erik Rosendahl Kjellgren, Artur F. Izmaylov et al.2026 · 0 citationsarXiv
Exact factorization of unitary transformations with spin-adapted generators.42148689 · Jain, Paarth, Izmaylov, Artur F, Kjellgren, Erik R2026 · 0 citationsThe Journal of chemical physics. 2026;164(19)
Quantum Gambling: Best-Arm Strategies for Generator Selection in Adaptive Variational Algorithms.41995616 · Huang, Rick, Izmaylov, Artur F2026 · 0 citationsJournal of chemical theory and computation. 2026;22(9):4475-4480
Quantum Seniority-Based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem.41945686 · Patel, Smik, Jayakumar, Praveen, Huang, Rick et al.2026 · 2 citationsJournal of chemical theory and computation. 2026;22(8):3937-3949
On the Feasibility of Exact Unitary Transformations for Many-Body Hamiltonians.41941609 · Jayakumar, Praveen, Zeng, Tao, Izmaylov, Artur F2026 · 0 citationsJournal of chemical theory and computation. 2026;22(8):3916-3926
Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials2602.20270v3 · Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev et al.2026 · 0 citationsarXiv
Multistate Iterative Qubit Coupled Cluster (MS-iQCC): A Quantum-Inspired, State-Averaged Approach to Ground- And Excited-State Energies.41636614 · Lang, Robert A, Mehendale, Shashank G, Ryabinkin, Ilya G et al.2026 · 0 citationsJournal of chemical theory and computation. 2026;22(4):1714-1726
Trotter Simulation of Vibrational Hamiltonians on a Quantum Computer.41442044 · Malpathak, Shreyas, Kallullathil, Sangeeth Das, Loaiza, Ignacio et al.2026 · 4 citationsJournal of chemical theory and computation. 2026;22(1):95-119
Planted Solutions in Quantum Chemistry: Generating Non-Trivial Hamiltonians with Known Ground States.41212600 · Wang, Linjun, Cantin, Joshua T, Patel, Smik et al.2025 · 1 citationJournal of chemical theory and computation. 2025;21(22):11495-11508
QB Ground State Energy Estimation Benchmark2508.10873v1 · Nicole Bellonzi, Joshua T. Cantin, Mohammad Reza Jangrouei et al.2025 · 1 citationarXiv
Quantum Measurement for Quantum Chemistry on a Quantum Computer.40690271 · Patel, Smik, Jayakumar, Praveen, Yen, Tzu-Ching et al.2025 · 22 citationsChemical reviews. 2025;125(16):7490-7524
Bounding Eigenstate Overlap from Hamiltonian Moments: Success Probability Guarantees for Quantum Phase Estimation2503.12224v2 · Junan Lin, Artur F. Izmaylov2025 · 0 citationsarXiv
Quantum computer formulation of the FKP-operator eigenvalue problem for probabilistic learning on manifolds2502.14580v1 · Christian Soize, Loic Joubert-Doriol, Artur F. Izmaylov2025 · 2 citationsarXiv
Simulating Vibrational Dynamics on Bosonic Quantum Devices.39950938 · Malpathak, Shreyas, Kallullathil, Sangeeth Das, Izmaylov, Artur F2025 · 8 citationsThe journal of physical chemistry letters. 2025;16(8):1855-1864
Global Minimization of Electronic Hamiltonian 1-Norm via Linear Programming in the Block Invariant Symmetry Shift (BLISS) Method.39804571 · Patel, Smik, Brahmachari, Aritra Sankar, Cantin, Joshua T et al.2025 · 6 citationsJournal of chemical theory and computation. 2025;21(2):703-713
Efficient Strategies for Reducing Sampling Error in Quantum Krylov Subspace Diagonalization2409.02504v4 · Gwonhak Lee, Seonghoon Choi, Joonsuk Huh et al.2024 · 9 citationsDigital Discovery, 2025, 4, 954 - 969
Majorana Tensor Decomposition: A unifying framework for decompositions of fermionic Hamiltonians to Linear Combination of Unitaries2407.06571v3 · Ignacio Loaiza, Aritra Sankar Brahmachari, Artur F. Izmaylov2024 · 5 citationsarXiv
Probing Quantum Efficiency: Exploring System Hardness in Electronic Ground State Energy Estimation.38950444 · Choi, Seonghoon, Loaiza, Ignacio, Lang, Robert A et al.2024 · 5 citationsJournal of chemical theory and computation. 2024;20(14):5982-5993
Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers2406.06335v1 · Nicole Bellonzi, Alexander Kunitsa, Joshua T. Cantin et al.2024 · 3 citationsarXiv
Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras.38767254 · Patel, Smik, Izmaylov, Artur F2024 · 4 citationsThe Journal of chemical physics. 2024;160(19)
Extension of Exactly-Solvable Hamiltonians Using Symmetries of Lie Algebras.38718293 · Patel, Smik, Yen, Tzu-Ching, Izmaylov, Artur F2024 · 7 citationsThe journal of physical chemistry. A. 2024;128(20):4150-4159
Estimating Trotter Approximation Errors to Optimize Hamiltonian Partitioning for Lower Eigenvalue Errors2312.13282v3 · Shashank G. Mehendale, Luis A. Mart'inez-Mart'inez, Prathami Divakar Kamath et al.2023 · 5 citationsarXiv
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions2312.09733v3 · Yuri Alexeev, Maximilian Amsler, Paul Baity et al.2023 · 94 citationsFuture Generation Computer Systems, Volume 160, November 2024, Pages 666-710
Physical Chemistry of Quantum Information Science.38093691 · Zelevinsky, Tanya, Izmaylov, Artur F, Alexandrova, Anastassia N2023 · 7 citationsThe journal of physical chemistry. A. 2023;127(49):10357-10359
Growth Reduction of Similarity-Transformed Electronic Hamiltonians in Qubit Space.37715716 · Lang, Robert A, Ganeshram, Aadithya, Izmaylov, Artur F2026 · 3 citationsJournal of chemical theory and computation. 2023;19(19):6656-6667
A Hybrid Quantum-Classical Algorithm for Multichannel Quantum Scattering of Atoms and Molecules.37387513 · Xing, Xiaodong, Gomez Cadavid, Alejandro, Izmaylov, Artur F et al.2023 · 12 citationsThe journal of physical chemistry letters. 2023;14(27):6224-6233
Coherent control based on quantum Zeno and anti-Zeno effects: Role of coherences and timing2306.08311v2 · Jacob Levitt, Artur F. Izmaylov2023 · 0 citationsarXiv
Measurement Optimization Techniques for Excited Electronic States in Near-Term Quantum Computing Algorithms.37224265 · Choi, Seonghoon, Izmaylov, Artur F2023 · 19 citationsJournal of chemical theory and computation. 2023;19(11):3184-3193
Block-Invariant Symmetry Shift: Preprocessing technique for second-quantized Hamiltonians to improve their decompositions to Linear Combination of Unitaries2304.13772v3 · Ignacio Loaiza, Artur F. Izmaylov2023 · 24 citationsarXiv
Quantum Kinetic Rates within the Nonequilibrium Steady State.36728919 · Joubert-Doriol, Loïc, Jung, Kenneth A, Izmaylov, Artur F et al.2023 · 5 citationsJournal of chemical theory and computation. 2023;19(4):1130-1143
Deterministic improvements of quantum measurements with grouping of compatible operators, non-local transformations, and covariance estimates.38665255 · Yen, Tzu-Ching, Ganeshram, Aadithya, Izmaylov, Artur F2024 · 63 citationsNPJ quantum information. 2023;9(1):14
Improving Quantum Measurements by Introducing "Ghost" Pauli Products.36332111 · Choi, Seonghoon, Yen, Tzu-Ching, Izmaylov, Artur F2022 · 30 citationsJournal of chemical theory and computation. 2022;18(12):7394-7402
Assessment of various Hamiltonian partitionings for the electronic structure problem on a quantum computer using the Trotter approximation2210.10189v2 · Luis A. Mart'inez-Mart'inez, Tzu-Ching Yen, Artur F. Izmaylov2022 · 18 citationsQuantum 7, 1086 (2023)
Fidelity Overhead for Nonlocal Measurements in Variational Quantum Algorithms.36150139 · Bansingh, Zachary Pierce, Yen, Tzu-Ching, Johnson, Peter D et al.2022 · 17 citationsThe journal of physical chemistry. A. 2022;126(39):7007-7012
Fluid fermionic fragments for optimizing quantum measurements of electronic Hamiltonians in the variational quantum eigensolver2208.14490v3 · Seonghoon Choi, Ignacio Loaiza, Artur F. Izmaylov2022 · 33 citationsQuantum 7, 889 (2023)
Reducing molecular electronic Hamiltonian simulation cost for Linear Combination of Unitaries approaches2208.08272v2 · Ignacio Loaiza, Alireza Marefat Khah, Nathan Wiebe et al.2022 · 46 citationsQuantum Science and Technology, 8 (3) 035019, 2023
Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest.35649883 · Asaad, Mina, Joubert-Doriol, Loïc, Izmaylov, Artur F2022 · 3 citationsThe Journal of chemical physics. 2022;156(20):204121
A quantum computing view on unitary coupled cluster theory.35166276 · Anand, Abhinav, Schleich, Philipp, Alperin-Lea, Sumner et al.2022 · 223 citationsChemical Society reviews. 2022;51(5):1659-1684
Analytic gradients in variational quantum algorithms: Algebraic extensions of the parameter-shift rule to general unitary transformations2107.08131v4 · Artur F. Izmaylov, Robert A. Lang, Tzu-Ching Yen2021 · 54 citationsarXiv
Unitary Transformation of the Electronic Hamiltonian with an Exact Quadratic Truncation of the Baker-Campbell-Hausdorff Expansion.33295175 · Lang, Robert A, Ryabinkin, Ilya G, Izmaylov, Artur F2021 · 56 citationsJournal of chemical theory and computation. 2021;17(1):66-78
Tequila: A platform for rapid development of quantum algorithms2011.03057v2 · Jakob S. Kottmann, Sumner Alperin-Lea, Teresa Tamayo-Mendoza et al.2020 · 82 citationsarXiv
A posteriori corrections to the Iterative Qubit Coupled Cluster method to minimize the use of quantum resources in large-scale calculations2009.13622v1 · Ilya G. Ryabinkin, Artur F. Izmaylov, Scott N. Genin2020 · 36 citationsarXiv
How to define quantum mean-field solvable Hamiltonians using Lie algebras2008.06633v3 · Artur F. Izmaylov, Tzu-Ching Yen2020 · 8 citationsQuantum Sci. Technol. 6, 044006 (2021)
Cartan sub-algebra approach to efficient measurements of quantum observables2007.01234v4 · Tzu-Ching Yen, Artur F. Izmaylov2020 · 66 citationsPRX Quantum, 2, 040320 (2021)
Measurement optimization in the variational quantum eigensolver using a minimum clique cover.32241154 · Verteletskyi, Vladyslav, Yen, Tzu-Ching, Izmaylov, Artur F2020 · 269 citationsThe Journal of chemical physics. 2020;152(12):124114
Measuring All Compatible Operators in One Series of Single-Qubit Measurements Using Unitary Transformations.32150412 · Yen, Tzu-Ching, Verteletskyi, Vladyslav, Izmaylov, Artur F2020 · 178 citationsJournal of chemical theory and computation. 2020;16(4):2400-2409
Iterative Qubit Coupled Cluster Approach with Efficient Screening of Generators.31935085 · Ryabinkin, Ilya G, Lang, Robert A, Genin, Scott N et al.2020 · 170 citationsJournal of chemical theory and computation. 2020;16(2):1055-1063
Unitary Partitioning Approach to the Measurement Problem in the Variational Quantum Eigensolver Method.31747266 · Izmaylov, Artur F, Yen, Tzu-Ching, Lang, Robert A et al.2020 · 171 citationsJournal of chemical theory and computation. 2020;16(1):190-195
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