VQE method: a short survey and recent developments
Open accessAbstract
The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer.
“Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer.”
From On Circuit-Based Hybrid Quantum Neural Networks for Remote Sensing Imagery Classification (2022) · cites this paper as [15]
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for quantum chemistry applications in the NISQ era.
“Within the Noisy Intermediate-Scale Quantum (NISQ) era, Variational Quantum Eigensolvers (VQEs) [5] have emerged as one of the most promising algorithms for quantum chemistry applications. [6,7]”
From Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE (2026) · cites this paper as [7]
Cites
Deep Residual Learning for Image Recognition
He, K., Zhang, X., Ren, S., & Sun, J. (2016) · 2016 IEEE Conference on Computer Vision and Pattern Recognition (CVPR) · doi:10.1109/cvpr.2016.90 · Cited by 235,474 · see citing works
LeCun, Y., Bengio, Y., & Hinton, G. (2015) · Nature · doi:10.1038/nature14539 · Cited by 84,126 · see citing works
A fast learning algorithm for deep belief nets
Hinton, G. E., Osindero, S., & Teh, Y.-W. (2006) · Neural Computation · doi:10.1162/neco.2006.18.7.1527 · Cited by 16,336 · see citing works
Quantum Computing in the NISQ era and beyond
Preskill, J. (2018) · Quantum · doi:10.22331/q-2018-08-06-79 · Cited by 8,830 · see citing works
Algorithms for quantum computation: discrete logarithms and factoring
Shor, P. W. (2002) · Proceedings 35th Annual Symposium on Foundations of Computer Science · doi:10.1109/sfcs.1994.365700 · Cited by 8,713 · see citing works
Simulating physics with computers
Feynman, R. P. (1982) · International Journal of Theoretical Physics · doi:10.1007/bf02650179 · Cited by 7,691 · see citing works
A variational eigenvalue solver on a photonic quantum processor
Peruzzo, A., McClean, J., Shadbolt, P., Yung, M.-H., Zhou, X.-Q., Love, P. J., Aspuru-Guzik, A., & O’Brien, J. L. (2014) · Nature Communications · doi:10.1038/ncomms5213 · Cited by 4,552 · see citing works
Variational quantum algorithms
Cerezo, M., Arrasmith, A., Babbush, R., Benjamin, S. C., Endo, S., Fujii, K., McClean, J. R., Mitarai, K., Yuan, X., Cincio, L., et al. (2021) · Nature Reviews Physics · doi:10.1038/s42254-021-00348-9 · Cited by 3,385 · cited 1× · see citing works
“Several comprehensive reviews covering VQE have been published recently.[21, 22, 23, 24] The goal of this work is to present recent advances in methods that produce shorter VQE circuits or provide higher accuracy.”
MethodHardware-efficient variational quantum eigensolver for small molecules and quantum magnets
Kandala, A., Mezzacapo, A., Temme, K., Takita, M., Brink, M., Chow, J. M., & Gambetta, J. M. (2017) · Nature · doi:10.1038/nature23879 · Cited by 2,982 · see citing works
�ber das Paulische �quivalenzverbot
Jordan, P., & Wigner, E. (1928) · Zeitschrift f�r Physik · doi:10.1007/bf01331938 · Cited by 2,597 · cited 1× · see citing works
“To evaluate the energy on a quantum computer, the Hamiltonian for indistinguishable fermions has to be mapped onto the Hamiltonian of distinguishable qubits by using one of three common mappings: Jordan–Wigner [42] parity [43], or Bravyi–Kitaev[44].”
MethodBarren plateaus in quantum neural network training landscapes
McClean, J. R., Boixo, S., Smelyanskiy, V. N., Babbush, R., & Neven, H. (2018) · Nature Communications · doi:10.1038/s41467-018-07090-4 · Cited by 2,329 · see citing works
The theory of variational hybrid quantum-classical algorithms
McClean, J. R., Romero, J., Babbush, R., & Aspuru-Guzik, A. (2016) · New Journal of Physics · doi:10.1088/1367-2630/18/2/023023 · Cited by 2,227 · see citing works
Noisy intermediate-scale quantum algorithms
Bharti, K., Cervera-Lierta, A., Kyaw, T. H., Haug, T., Alperin-Lea, S., Anand, A., Degroote, M., Heimonen, H., Kottmann, J. S., Menke, T., et al. (2022) · Reviews of Modern Physics · doi:10.1103/revmodphys.94.015004 · Cited by 1,726 · see citing works
Quantum computational chemistry
McArdle, S., Endo, S., Aspuru-Guzik, A., Benjamin, S. C., & Yuan, X. (2020) · Reviews of Modern Physics · doi:10.1103/revmodphys.92.015003 · Cited by 1,621 · see citing works
Quantum Chemistry in the Age of Quantum Computing
Cao, Y., Romero, J., Olson, J. P., Degroote, M., Johnson, P. D., Kieferová, M., Kivlichan, I. D., Menke, T., Peropadre, B., Sawaya, N. P. D., et al. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00803 · Cited by 1,560 · see citing works
Quantum Chemistry in the Age of Quantum Computing
Cao, Y., Romero, J., Olson, J., Degroote, M., Johnson, P., Kieferová, M., Kivlichan, I., Menke, T., Peropadre, B., Sawaya, N., et al. (n.d.) · OPUS - Open Publications of UTS Scholars (University of Technology Sydney) · Cited by 1,265 · see citing works
Scalable Quantum Simulation of Molecular Energies
O’Malley, P. J. J., Babbush, R., Kivlichan, I. D., Romero, J., McClean, J. R., Barends, R., Kelly, J., Roushan, P., Tranter, A., Ding, N., et al. (2016) · Physical Review X · doi:10.1103/physrevx.6.031007 · Cited by 1,059 · see citing works
Bravyi, S. B., & Kitaev, A. Y. (2002) · Annals of Physics · doi:10.1006/aphy.2002.6254 · Cited by 1,033 · see citing works
An adaptive variational algorithm for exact molecular simulations on a quantum computer
Grimsley, H. R., Economou, S. E., Barnes, E., & Mayhall, N. J. (2019) · Nature Communications · doi:10.1038/s41467-019-10988-2 · Cited by 1,033 · see citing works
Error mitigation extends the computational reach of a noisy quantum processor
Kandala, A., Temme, K., Corcoles, A. D., Mezzacapo, A., Chow, J. M., & Gambetta, J. (2019) · Nature · doi:10.1038/s41586-019-1040-7 · Cited by 870 · see citing works
Hartree-Fock on a superconducting qubit quantum computer
Collaborators, G. A. Q. A., Arute, F., Arya, K., Babbush, R., Bacon, D., Bardin, J. C., Barends, R., Boixo, S., Broughton, M., Buckley, B. B., et al. (2020) · Science · doi:10.1126/science.abb9811 · Cited by 824 · see citing works
Quantum Algorithm Providing Exponential Speed Increase for Finding Eigenvalues and Eigenvectors
Abrams, D. S., & Lloyd, S. (1999) · Physical Review Letters · doi:10.1103/physrevlett.83.5162 · Cited by 817 · see citing works
Simulation of Many-Body Fermi Systems on a Universal Quantum Computer
Abrams, D. S., & Lloyd, S. (1997) · Physical Review Letters · doi:10.1103/physrevlett.79.2586 · Cited by 745 · see citing works
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
Romero, J., Babbush, R., McClean, J. R., Hempel, C., Love, P. J., & Aspuru-Guzik, A. (2019) · Quantum Science and Technology · doi:10.1088/2058-9565/aad3e4 · Cited by 726 · see citing works
Progress towards practical quantum variational algorithms
Wecker, D., Hastings, M. B., & Troyer, M. (2015) · Physical Review A · doi:10.1103/physreva.92.042303 · Cited by 716 · see citing works
Motta, M., Sun, C., Tan, A. T. K., O’Rourke, M. J., Ye, E., Minnich, A. J., Brandão, F. G. S. L., & Chan, G. K.-L. (2020) · Nature Physics · doi:10.1038/s41567-019-0704-4 · Cited by 709 · see citing works
Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator
Hempel, C., Maier, C., Romero, J., McClean, J., Monz, T., Shen, H., Jurcevic, P., Lanyon, B. P., Love, P., Babbush, R., et al. (2018) · Physical Review X · doi:10.1103/physrevx.8.031022 · Cited by 597 · see citing works
Hybrid quantum-classical hierarchy for mitigation of decoherence and determination of excited states
McClean, J. R., Kimchi-Schwartz, M. E., Carter, J., & de Jong, W. A. (2017) · Physical Review A · doi:10.1103/physreva.95.042308 · Cited by 516 · see citing works
Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm
Colless, J. I., Ramasesh, V. V., Dahlen, D., Blok, M. S., Kimchi-Schwartz, M. E., McClean, J. R., Carter, J., de Jong, W. A., & Siddiqi, I. (2018) · Physical Review X · doi:10.1103/physrevx.8.011021 · Cited by 460 · see citing works
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
Lee, J., Huggins, W. J., Head-Gordon, M., & Whaley, K. B. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.8b01004 · Cited by 432 · see citing works
Tang, H. L., Shkolnikov, V. O., Barron, G. S., Grimsley, H. R., Mayhall, N. J., Barnes, E., & Economou, S. E. (2021) · PRX Quantum · doi:10.1103/prxquantum.2.020310 · Cited by 408 · see citing works
An initialization strategy for addressing barren plateaus in parametrized quantum circuits
Grant, E., Wossnig, L., Ostaszewski, M., & Benedetti, M. (2019) · Quantum · doi:10.22331/q-2019-12-09-214 · Cited by 406 · see citing works
Mazziotti, D. A. (1998) · Physical Review A · doi:10.1103/physreva.57.4219 · Cited by 391 · see citing works
Barkoutsos, P. K., Gonthier, J. F., Sokolov, I., Moll, N., Salis, G., Fuhrer, A., Ganzhorn, M., Egger, D. J., Troyer, M., Mezzacapo, A., et al. (2018) · Physical Review A · doi:10.1103/physreva.98.022322 · Cited by 363 · see citing works
Ground-state energy estimation of the water molecule on a trapped-ion quantum computer
Nam, Y., Chen, J.-S., Pisenti, N. C., Wright, K., Delaney, C. P., Maslov, D., Brown, K. R., Allen, S., Amini, J., Apisdorf, J., et al. (2020) · npj Quantum Information · doi:10.1038/s41534-020-0259-3 · Cited by 346 · see citing works
Absence of Barren Plateaus in Quantum Convolutional Neural Networks
Pesah, A., Cerezo, M., Wang, S., Volkoff, T., Sornborger, A. T., & Coles, P. J. (2021) · Physical Review X · doi:10.1103/physrevx.11.041011 · Cited by 343 · see citing works
An initialization strategy for addressing barren plateaus in parametrized quantum circuits
Grant, E., Wossnig, L., Ostaszewski, M., & Benedetti, M. (2019) · UCL Discovery (University College London) · Cited by 338 · see citing works
Low-Depth Quantum Simulation of Materials
Babbush, R., Wiebe, N., McClean, J., McClain, J., Neven, H., & Chan, G. K.-L. (2018) · Physical Review X · doi:10.1103/physrevx.8.011044 · Cited by 335 · see citing works
Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure
Shen, Y., Zhang, X., Zhang, S., Zhang, J.-N., Yung, M., & Kim, K. (2017) · Physical Review A · doi:10.1103/physreva.95.020501 · Cited by 288 · see citing works
Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer
Ryabinkin, I. G., Yen, T.-C., Genin, S. N., & Izmaylov, A. F. (2018) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.8b00932 · Cited by 287 · see citing works
Gard, B. T., Zhu, L., Barron, G. S., Mayhall, N. J., Economou, S. E., & Barnes, E. (2020) · npj Quantum Information · doi:10.1038/s41534-019-0240-1 · Cited by 266 · see citing works
New perspectives on unitary coupled‐cluster theory
Taube, A. G., & Bartlett, R. J. (2006) · International Journal of Quantum Chemistry · doi:10.1002/qua.21198 · Cited by 254 · see citing works
Effect of barren plateaus on gradient-free optimization
Arrasmith, A., Cerezo, M., Czarnik, P., Cincio, L., & Coles, P. J. (2021) · Quantum · doi:10.22331/q-2021-10-05-558 · Cited by 248 · see citing works
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
Evangelista, F. A., Chan, G. K.-L., & Scuseria, G. E. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5133059 · Cited by 225 · see citing works
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
Ollitrault, P. J., Kandala, A., Chen, C.-F., Barkoutsos, P. K., Mezzacapo, A., Pistoia, M., Sheldon, S., Woerner, S., Gambetta, J. M., & Tavernelli, I. (2020) · Physical Review Research · doi:10.1103/physrevresearch.2.043140 · Cited by 219 · see citing works
Quantum chemistry as a benchmark for near-term quantum computers
McCaskey, A., Parks, Z. P., Jakowski, J., Moore, S., Morris, T., Humble, T. S., & Pooser, R. C. (2019) · npj Quantum Information · doi:10.1038/s41534-019-0209-0 · Cited by 216 · see citing works
Witnessing eigenstates for quantum simulation of Hamiltonian spectra
Santagati, R., Wang, J., Gentile, A. A., Paesani, S., Wiebe, N., McClean, J. R., Morley-Short, S., Shadbolt, P. J., Bonneau, D., Silverstone, J. W., et al. (2018) · Science Advances · doi:10.1126/sciadv.aap9646 · Cited by 211 · see citing works
Mazziotti, D. A. (2006) · Physical Review Letters · doi:10.1103/physrevlett.97.143002 · Cited by 205 · see citing works
Efficient Bayesian Phase Estimation
Wiebe, N., & Granade, C. (2016) · Physical Review Letters · doi:10.1103/physrevlett.117.010503 · Cited by 193 · see citing works
A unitary multiconfigurational coupled-cluster method: Theory and applications
Hoffmann, M. R., & Simons, J. (1988) · The Journal of Chemical Physics · doi:10.1063/1.454125 · Cited by 193 · see citing works
A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons
Stair, N. H., Huang, R., & Evangelista, F. A. (2020) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b01125 · Cited by 183 · see citing works
Error analysis and improvements of coupled-cluster theory
Kutzelnigg, W. (1991) · Theoretica Chimica Acta · doi:10.1007/bf01117418 · Cited by 174 · see citing works
Iterative Qubit Coupled Cluster Approach with Efficient Screening of Generators
Ryabinkin, I. G., Lang, R. A., Genin, S. N., & Izmaylov, A. F. (2020) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b01084 · Cited by 170 · see citing works
Takeshita, T. Y., Rubin, N. C., Zhang, J., Lee, E., Babbush, R., & McClean, J. R. (2020) · Physical Review X · doi:10.1103/physrevx.10.011004 · Cited by 169 · see citing works
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor
Ollitrault, P. J., Kandala, A., Chen, C.-F., Barkoutsos, P. K., Mezzacapo, A., Pistoia, M., Sheldon, S., Woerner, S., Gambetta, J., & Tavernelli, I. (2020) · Repository for Publications and Research Data (ETH Zurich) · doi:10.3929/ethz-b-000467868 · Cited by 165 · see citing works
The t expansion: A nonperturbative analytic tool for Hamiltonian systems
Horn, D., & WEINSTEIN, M. J. (1984) · Physical review. D. Particles, fields, gravitation, and cosmology/Physical review. D. Particles and fields · doi:10.1103/physrevd.30.1256 · Cited by 160 · see citing works
Benchmark studies of variational, unitary and extended coupled cluster methods
Cooper, B., & Knowles, P. J. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3520564 · Cited by 156 · see citing works
A non-orthogonal variational quantum eigensolver
Huggins, W. J., Lee, J., Baek, U., O’Gorman, B., & Whaley, K. B. (2020) · New Journal of Physics · doi:10.1088/1367-2630/ab867b · Cited by 148 · see citing works
Large gradients via correlation in random parameterized quantum circuits
Volkoff, T., & Coles, P. J. (2021) · Quantum Science and Technology · doi:10.1088/2058-9565/abd891 · Cited by 143 · see citing works
Gate-Efficient Simulation of Molecular Eigenstates on a Quantum Computer
Ganzhorn, M., Egger, D. J., Barkoutsos, P., Ollitrault, P. J., Salis, G., Moll, N., Roth, M., Fuhrer, A., Mueller, P., Woerner, S., et al. (2019) · Physical Review Applied · doi:10.1103/physrevapplied.11.044092 · Cited by 142 · see citing works
Connected moments expansion: A new tool for quantum many-body theory
Ciosłowski, J. (1987) · Physical Review Letters · doi:10.1103/physrevlett.58.83 · Cited by 129 · see citing works
A non-orthogonal variational quantum eigensolver
Huggins, W., Lee, J., Baek, U., O'Gorman, B., & Whaley, K. (2020) · eScholarship (California Digital Library) · Cited by 128 · see citing works
On barren plateaus and cost function locality in variational quantum algorithms
Uvarov, A. V., & Biamonte, J. D. (2021) · Journal of Physics A: Mathematical and Theoretical · doi:10.1088/1751-8121/abfac7 · Cited by 126 · see citing works
Exploiting Locality in Quantum Computation for Quantum Chemistry
McClean, J. R., Babbush, R., Love, P. J., & Aspuru-Guzik, A. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz501649m · Cited by 125 · see citing works
Mazziotti, D. A. (2007) · Physical Review A · doi:10.1103/physreva.75.022505 · Cited by 124 · see citing works
Experimental error mitigation via symmetry verification in a variational quantum eigensolver
Sagastizabal, R., Bonet-Monroig, X., Singh, M., Rol, M. A., Bultink, C. C., Fu, X., Price, C. H., Ostroukh, V., Muthusubramanian, N., Bruno, A., et al. (2019) · Physical Review A · doi:10.1103/physreva.100.010302 · Cited by 124 · see citing works
Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space
Ryabinkin, I. G., Genin, S. N., & Izmaylov, A. F. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.8b00943 · Cited by 120 · see citing works
On the difference between variational and unitary coupled cluster theories
Harsha, G., Shiozaki, T., & Scuseria, G. E. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5011033 · Cited by 118 · see citing works
Smart, S. E., & Mazziotti, D. A. (2021) · Physical Review Letters · doi:10.1103/physrevlett.126.070504 · Cited by 117 · see citing works
Orbital optimized unitary coupled cluster theory for quantum computer
Mizukami, W., Mitarai, K., Nakagawa, Y. O., Yamamoto, T., Yan, T., & Ohnishi, Y.-Y. (2020) · Physical Review Research · doi:10.1103/physrevresearch.2.033421 · Cited by 116 · see citing works
Gate-Efficient Simulation of Molecular Eigenstates on a Quantum Computer
Ganzhorn, M., Egger, D. J., Tavernelli, I., Filipp, S., Barkoutsos, P. K., Ollitrault, P. J., Salis, G., Moll, N., Roth, M., Fuhrer, A., et al. (2019) · RWTH Publications (RWTH Aachen) · Cited by 109 · see citing works
Mukherjee, D., & Kutzelnigg, W. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1337058 · Cited by 106 · see citing works
Quantum simulation of chemistry with sublinear scaling in basis size
Babbush, R., Berry, D. W., McClean, J. R., & Neven, H. (2019) · npj Quantum Information · doi:10.1038/s41534-019-0199-y · Cited by 105 · see citing works
Mazziotti, D. A. (2002) · The Journal of Chemical Physics · doi:10.1063/1.1430257 · Cited by 94 · see citing works
Entanglement Generation in Superconducting Qubits Using Holonomic Operations
Egger, D. J., Ganzhorn, M., Salis, G., Fuhrer, A., Müller, P., Barkoutsos, P. K., Moll, N., Tavernelli, I., & Filipp, S. (2019) · Physical Review Applied · doi:10.1103/physrevapplied.11.014017 · Cited by 91 · see citing works
Roth, M., Ganzhorn, M., Moll, N., Filipp, S., Salis, G., & Schmidt, S. (2017) · Physical Review A · doi:10.1103/physreva.96.062323 · Cited by 90 · see citing works
Metcalf, M., Bauman, N. P., Kowalski, K., & de Jong, W. A. (2020) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.0c00421 · Cited by 78 · see citing works
Accuracy and Resource Estimations for Quantum Chemistry on a Near-Term Quantum Computer
Kühn, M., Zanker, S., Deglmann, P., Marthaler, M., & Weiß, H. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00236 · Cited by 71 · see citing works
Exactness of wave functions from two-body exponential transformations in many-body quantum theory
Mazziotti, D. A. (2004) · Physical Review A · doi:10.1103/physreva.69.012507 · Cited by 64 · see citing works
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices
Gao, Q., Nakamura, H., Gujarati, T. P., Jones, G. O., Rice, J. E., Wood, S., Pistoia, M., Garcı́a, J. M., & Yamamoto, N. (2021) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c09530 · Cited by 59 · see citing works
Gao, Q., Jones, G. O., Motta, M., Sugawara, M., Watanabe, H. C., Kobayashi, T., Watanabe, E., Ohnishi, Y., Nakamura, H., & Yamamoto, N. (2021) · npj Computational Materials · doi:10.1038/s41524-021-00540-6 · Cited by 59 · see citing works
Smart, S. E., & Mazziotti, D. A. (2019) · Physical Review A · doi:10.1103/physreva.100.022517 · Cited by 55 · see citing works
Lang, R. A., Ryabinkin, I. G., & Izmaylov, A. F. (2020) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.0c00170 · Cited by 55 · see citing works
Properties of coupled-cluster equations originating in excitation sub-algebras
Kowalski, K. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5010693 · Cited by 51 · see citing works
Efficient quantum algorithm for preparing molecular-system-like states on a quantum computer
Wang, H., Ashhab, S., & Nori, F. (2009) · Physical Review A · doi:10.1103/physreva.79.042335 · Cited by 48 · see citing works
Kottmann, J. S., Schleich, P., Tamayo-Mendoza, T., & Aspuru‐Guzik, A. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c03410 · Cited by 48 · see citing works
Gidofalvi, G., & Mazziotti, D. A. (2009) · Physical Review A · doi:10.1103/physreva.80.022507 · Cited by 47 · see citing works
Use of a unitary wavefunction in the calculation of static electronic properties
Pal, S. (1984) · Theoretical Chemistry Accounts · doi:10.1007/bf00549670 · Cited by 42 · see citing works
Quantum computing methods for electronic states of the water molecule
Bian, T., Murphy, D., Xia, R., Daskin, A., & Kais, S. (2019) · Molecular Physics · doi:10.1080/00268976.2019.1580392 · Cited by 42 · see citing works
Exact and approximate symmetry projectors for the electronic structure problem on a quantum computer
Yen, T.-C., Lang, R. A., & Izmaylov, A. F. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5110682 · Cited by 40 · see citing works
Natural evolutionary strategies for variational quantum computation
Anand, A., Degroote, M., & Aspuru‐Guzik, A. (2021) · Machine Learning Science and Technology · doi:10.1088/2632-2153/abf3ac · Cited by 40 · see citing works
Quantum simulations employing connected moments expansions
Kowalski, K., & Peng, B. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0030688 · Cited by 29 · see citing works
Self-citationExact two-body expansion of the many-particle wave function
Mazziotti, D. A. (2020) · Physical Review A · doi:10.1103/physreva.102.030802 · Cited by 19 · see citing works
Relativistic unitary coupled cluster theory and applications
Sur, C., Chaudhuri, R. K., Sahoo, B. K., Das, B. P., & Mukherjee, D. (2008) · Journal of Physics B Atomic Molecular and Optical Physics · doi:10.1088/0953-4075/41/6/065001 · Cited by 18 · see citing works
Variational quantum solver employing the PDS energy functional
Peng, B., & Kowalski, K. (2021) · Quantum · doi:10.22331/q-2021-06-10-473 · Cited by 17 · see citing works
Self-citationGENERALIZED VARIATIONAL PRINCIPLE IN QUANTUM MECHANICS
Soldatov, A. V. (1995) · International Journal of Modern Physics B · doi:10.1142/s0217979295001087 · Cited by 13 · see citing works
Peeters, F. M., & Devreese, J. T. (1984) · Journal of Physics A Mathematical and General · doi:10.1088/0305-4470/17/3/024 · Cited by 11 · see citing works
Flagged first, then by citations
4 of the 101 references couldn’t be matched to a known paper.
Cited by
Sorted by citations
The Variational Quantum Eigensolver: A review of methods and best practices
Tilly, J., Chen, H., Cao, S., Picozzi, D., Setia, K., Li, Y., Grant, E., Wossnig, L., Rungger, I., Booth, G. H., et al. (2022) · Physics Reports · doi:10.1016/j.physrep.2022.08.003 · Cited by 1,031 · see citing works
A review on Quantum Approximate Optimization Algorithm and its variants
Blekos, K., Brand, D., Ceschini, A., Chou, C.-H., Li, R.-H., Pandya, K., & Summer, A. (2024) · Physics Reports · doi:10.1016/j.physrep.2024.03.002 · Cited by 444 · see citing works
On Circuit-Based Hybrid Quantum Neural Networks for Remote Sensing Imagery Classification
Sebastianelli, A., Zaidenberg, D. A., Spiller, D., Le Saux, B., & Ullo, S. (2022) · IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing · doi:10.1109/jstars.2021.3134785 · Cited by 162 · see citing works
Quantum Machine Learning—An Overview
Tychola, K. A., Kalampokas, Τ., & Papakostas, G. A. (2023) · Electronics · doi:10.3390/electronics12112379 · Cited by 132 · see citing works
Recent Advances for Quantum Neural Networks in Generative Learning
Tian, J., Sun, X., Du, Y., Zhao, S., Liu, Q., Zhang, K., Yi, W., Huang, W., Wang, C., Wu, X., et al. (2023) · IEEE Transactions on Pattern Analysis and Machine Intelligence · doi:10.1109/tpami.2023.3272029 · Cited by 116 · see citing works
Quantum computing for smart grid applications
Ullah, M. H., Eskandarpour, R., Zheng, H., & Khodaei, A. (2022) · IET Generation Transmission & Distribution · doi:10.1049/gtd2.12602 · Cited by 107 · see citing works
Huang, H.-L., Xu, X., Guo, C., Tian, G., Wei, S.-J., Sun, X., Bao, W., & Long, G. (2023) · Science China Physics Mechanics and Astronomy · doi:10.1007/s11433-022-2057-y · Cited by 101 · see citing works
Grimsley, H. R., Barron, G. S., Barnes, E., Economou, S. E., & Mayhall, N. J. (2023) · npj Quantum Information · doi:10.1038/s41534-023-00681-0 · Cited by 93 · see citing works
Biology and medicine in the landscape of quantum advantages
Cordier, B. A., Sawaya, N. P. D., Guerreschi, G. G., & McWeeney, S. K. (2022) · Journal of The Royal Society Interface · doi:10.1098/rsif.2022.0541 · Cited by 87 · see citing works
Variational quantum eigensolver with reduced circuit complexity
Zhang, Y., Cincio, Ł., Negre, C. F. A., Czarnik, P., Coles, P. J., Anisimov, P. M., Mniszewski, S. M., Tretiak, S., & Dub, P. A. (2022) · npj Quantum Information · doi:10.1038/s41534-022-00599-z · Cited by 75 · see citing works
Quantum computing of the Li6 nucleus via ordered unitary coupled clusters
Kiss, O., Grossi, M., Lougovski, P., Sánchez, F. A., Vallecorsa, S., & Papenbrock, T. (2022) · Physical Review C · doi:10.1103/physrevc.106.034325 · Cited by 72 · see citing works
Distributed Implementation of Full Configuration Interaction for One Trillion Determinants
Gao, H. M., Imamura, S., Kasagi, A., & Yoshida, E. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.3c01190 · Cited by 62 · see citing works
Quantum computing with and for many-body physics
Ayral, T., Besserve, P., Denis Lacroix, A., & Guzman, E. A. R. (2023) · The European Physical Journal A · doi:10.1140/epja/s10050-023-01141-1 · Cited by 54 · see citing works
Quantum computing algorithms: getting closer to critical problems in computational biology
Marchetti, L., Nifosì, R., Martelli, P. L., Da Pozzo, E., Cappello, V., Banterle, F., Trincavelli, M. L., Martini, C., & D’Elia, M. (2022) · Briefings in Bioinformatics · doi:10.1093/bib/bbac437 · Cited by 47 · see citing works
Optimal control of quantum thermal machines using machine learning
Khait, I., Carrasquilla, J., & Segal, D. (2022) · Physical Review Research · doi:10.1103/physrevresearch.4.l012029 · Cited by 40 · see citing works
Quantum computing in pharma: A multilayer embedding approach for near future applications
Izsák, R., Riplinger, C., Blunt, N. S., de Souza, B., Holzmann, N., Crawford, O., Camps, J., Neese, F., & Schöpf, P. (2022) · Journal of Computational Chemistry · doi:10.1002/jcc.26958 · Cited by 40 · see citing works
Quantum utility – definition and assessment of a practical quantum advantage
Herrmann, N., Arya, D., Doherty, M. W., Mingare, A., Pillay, J. C., Preis, F., & Prestel, S. (2023) · IEEE International Conference on Quantum Software (QSW) · doi:10.1109/qsw59989.2023.00028 · Cited by 42 · see citing works
Quantum Computing for Climate Resilience and Sustainability Challenges
Ho, K. T. M., Chen, K.-C., Lee, L., Burt, F., Yu, S., & Lee, P.-H. H. (2024) · IEEE International Conference on Quantum Computing and Engineering (QCE) · doi:10.1109/qce60285.2024.10289 · Cited by 42 · see citing works
Unitary Selective Coupled-Cluster Method
Fedorov, D. A., Alexeev, Y., Gray, S. K., & Otten, M. (2022) · Quantum · doi:10.22331/q-2022-05-02-703 · Cited by 34 · see citing works
Self-citationReal-Time Krylov Theory for Quantum Computing Algorithms
Shen, Y., Klymko, K., Sud, J., Williams‐Young, D. B., de Jong, W. A., & Tubman, N. M. (2023) · Quantum · doi:10.22331/q-2023-07-25-1066 · Cited by 32 · see citing works
Variational quantum eigensolver techniques for simulating carbon monoxide oxidation
Sapova, M. D., & Fedorov, A. K. (2022) · Communications Physics · doi:10.1038/s42005-022-00982-4 · Cited by 32 · see citing works
Pulse based Variational Quantum Optimal Control for hybrid quantum computing
de Keijzer, R., Tse, O. T. C., & Kokkelmans, S. J. J. M. F. (2023) · Quantum · doi:10.22331/q-2023-01-26-908 · Cited by 34 · see citing works
Sugisaki, K., Kato, T., Minato, Y., Okuwaki, K., & Mochizuki, Y. (2022) · Physical Chemistry Chemical Physics · doi:10.1039/d1cp04318h · Cited by 29 · see citing works
CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations
Magoulas, I., & Evangelista, F. A. (2023) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.2c01016 · Cited by 28 · see citing works
Molecular Energy Landscapes of Hardware-Efficient Ansätze in Quantum Computing
Boy, C., & Wales, D. J. (2023) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.2c01057 · Cited by 27 · see citing works
Lim, H., Kang, D. H., Kim, J., Pellow-Jarman, A., McFarthing, S., Pellow-Jarman, R., Jeon, H.-N., Oh, B., Rhee, J. K., & No, K. T. (2024) · Scientific Reports · doi:10.1038/s41598-024-52926-3 · Cited by 31 · see citing works
Nearly optimal state preparation for quantum simulations of lattice gauge theories
Kane, C. F., Gomes, N., & Kreshchuk, M. (2024) · Physical Review A · doi:10.1103/physreva.110.012455 · Cited by 24 · see citing works
Crawford, O., Cruise, J. R., Mertig, N., & González-Zalba, M. F. (2023) · npj Quantum Information · doi:10.1038/s41534-023-00679-8 · Cited by 24 · see citing works
Using Differential Evolution to avoid local minima in Variational Quantum Algorithms
Faílde, D., Viqueira, J. D., Juane, M. M., & Gómez, A. (2023) · Scientific Reports · doi:10.1038/s41598-023-43404-3 · Cited by 22 · see citing works
Calibrating the role of entanglement in variational quantum circuits
Nakhl, A. C., Quella, T., & Usman, M. (2024) · Physical Review A · doi:10.1103/physreva.109.032413 · Cited by 22 · see citing works
Fitzpatrick, A., Nykänen, A., Talarico, N. W., Lunghi, A., Maniscalco, S., García-Pérez, G., & Knecht, S. (2024) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c05882 · Cited by 22 · see citing works
Quantum simulation of bosons with the contracted quantum eigensolver
Wang, Y., Sager-Smith, L. M., & Mazziotti, D. A. (2023) · New Journal of Physics · doi:10.1088/1367-2630/acf9c3 · Cited by 23 · see citing works
Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models
Mukherjee, A., Berthusen, N., Getelina, J. C., Orth, P. P., & Yao, Y. (2023) · Communications Physics · doi:10.1038/s42005-022-01089-6 · Cited by 21 · see citing works
Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective
Hariharan, S., Kinge, S., & Visscher, L. (2024) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.4c01212 · Cited by 20 · see citing works
Sennane, W., Piquemal, J., & Rančić, M. J. (2023) · Physical Review A · doi:10.1103/physreva.107.012416 · Cited by 19 · see citing works
The Future of Drug Development with Quantum Computing
Bonde, B. K., Patil, P., & Choubey, B. (2023) · Methods in molecular biology · doi:10.1007/978-1-0716-3449-3_7 · Cited by 19 · see citing works
Variational quantum eigensolvers in the era of distributed quantum computers
Khait, I., Tham, E., Segal, D., & Brodutch, A. (2023) · Physical Review A · doi:10.1103/physreva.108.l050401 · Cited by 18 · see citing works
Rahman, M. A., Akter, M. S., Miller, E., Timofti, B., Shahriar, H., Masum, M., & Wu, F. (2024) · IEEE Annual International Computer Software and Applications Conference (COMPSAC) · doi:10.1109/compsac61105.2024.00144 · Cited by 18 · see citing works
Quasiparticle Cooling Algorithms for Quantum Many-Body State Preparation
Lloyd, J., Michailidis, A. A., Mi, X., Smelyanskiy, V., & Abanin, D. A. (2025) · PRX Quantum · doi:10.1103/prxquantum.6.010361 · Cited by 21 · see citing works
Shell-model study of58Ni using quantum computing algorithm
Bhoy, B., & Stevenson, P. D. (2024) · New Journal of Physics · doi:10.1088/1367-2630/ad5756 · Cited by 17 · see citing works
Q2Chemistry: A quantum computation platform for quantum chemistry
Fan, Y., Liu, J., Zeng, X., Xu, Z., Shang, H., Li, Z., & Yang, J. (2022) · JUSTC · doi:10.52396/justc-2022-0118 · Cited by 17 · see citing works
Improved Variational Quantum Eigensolver Via Quasidynamical Evolution
Jattana, M. S., Jin, F., Raedt, H. A. D., & Michielsen, K. F. L. (2023) · Physical Review Applied · doi:10.1103/physrevapplied.19.024047 · Cited by 16 · see citing works
Review of ansatz designing techniques for variational quantum algorithms
Qin, J. (2023) · Journal of Physics Conference Series · doi:10.1088/1742-6596/2634/1/012043 · Cited by 20 · see citing works
Extending the variational quantum eigensolver to finite temperatures
Selisko, J., Amsler, M., Hammerschmidt, T., Drautz, R., & Eckl, T. (2023) · Quantum Science and Technology · doi:10.1088/2058-9565/ad1340 · Cited by 20 · see citing works
Efficient Quantum Circuit Cutting by Neglecting Basis Elements
Chen, D. T., Hansen, E. H., Li, X., Kulkarni, V. R., Chaudhary, V., Ren, B. W., Guan, Q., Kuppannagari, S. R., Liu, J., & Xu, S. (2023) · IEEE International Symposium on Parallel & Distributed Processing, Workshops and Phd Forum · doi:10.1109/ipdpsw59300.2023.00091 · Cited by 17 · see citing works
Backtesting Quantum Computing Algorithms for Portfolio Optimization
Carrascal, G., Hernamperez, P., Botella, G., & Barrio, A. A. D. (2023) · IEEE Transactions on Quantum Engineering · doi:10.1109/tqe.2023.3337328 · Cited by 15 · see citing works
Variational quantum algorithms for scanning the complex spectrum of non-Hermitian systems
Xie, X.-D., Xue, Z., & Zhang, D.-B. (2024) · Frontiers of Physics · doi:10.1007/s11467-023-1382-3 · Cited by 15 · see citing works
Wang, S., Wang, P., Li, G., Zhao, S., Zhao, D., Wang, J., Yuan, F., Dou, M., Gu, Y., Wu, Y.-C., et al. (2025) · Science China Information Sciences · doi:10.1007/s11432-024-4185-1 · Cited by 15 · see citing works
Blueprint for a digital-analog variational quantum eigensolver using Rydberg atom arrays
Michel, A., Grijalva, S., Henriet, L., Domain, C., & Browaeys, A. (2023) · Physical Review A · doi:10.1103/physreva.107.042602 · Cited by 14 · see citing works
Sawaya, N. P. D., Schmitz, A. T., & Hadfield, S. (2023) · Quantum · doi:10.22331/q-2023-09-14-1111 · Cited by 16 · see citing works
Accurate and efficient calculations of Hellmann–Feynman forces for quantum computation
Lai, J., Fan, Y., Fu, Q., Li, Z., & Yang, J. (2023) · The Journal of Chemical Physics · doi:10.1063/5.0167444 · Cited by 14 · see citing works
Roh, J., Oh, S., Lee, D., Joo, C., Park, J., Moon, I., Ro, I., & Kim, J. (2024) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.3c07496 · Cited by 14 · see citing works
Kiser, M., Schroeder, A. K., Anselmetti, G.-L., Kumar, C., Moll, N., Streif, M., & Vodola, D. (2024) · New Journal of Physics · doi:10.1088/1367-2630/ad2f67 · Cited by 14 · see citing works
Mao, R., Tian, G., & Sun, X. (2024) · Communications Physics · doi:10.1038/s42005-024-01798-0 · Cited by 14 · see citing works
Mehendale, S. G., Peng, B., Govind, N., & Alexeev, Y. (2023) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c00550 · Cited by 14 · see citing works
Self-citationQ-BEEP: Quantum Bayesian Error Mitigation Employing Poisson Modeling over the Hamming Spectrum
Stein, S., Wiebe, N., Ding, Y., Ang, J., & Li, A. (2023) · Proceedings - International Symposium on Computer Architecture/Proceedings · doi:10.1145/3579371.3589043 · Cited by 14 · see citing works
Leakage Reduces Device Coherence Demands for Pulse-Level Molecular Simulations
Asthana, A., Liu, C., Meitei, O. R., Economou, S. E., Barnes, E., & Mayhall, N. J. (2023) · Physical Review Applied · doi:10.1103/physrevapplied.19.064071 · Cited by 20 · see citing works
Quantum Circuit Matrix Product State Ansatz for Large-Scale Simulations of Molecules
Fan, Y., Liu, J., Li, Z., & Yang, J. (2023) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.3c00068 · Cited by 15 · see citing works
Deep Neural Network Assisted Quantum Chemistry Calculations on Quantum Computers
Ghosh, K., Kumar, S., Nirmal, M. R., & Yamijala, S. S. R. K. C. (2023) · ACS Omega · doi:10.1021/acsomega.3c07364 · Cited by 12 · see citing works
Programmable adiabatic demagnetization for systems with trivial and topological excitations
Matthies, A., Rudner, M. S., Rosch, A., & Berg, E. (2024) · Quantum · doi:10.22331/q-2024-10-23-1505 · Cited by 16 · see citing works
Implicit Solvent Sample-Based Quantum Diagonalization
Kaliakin, D. S., Shajan, A., Liang, F., & Merz, K. M. (2025) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.5c01030 · Cited by 14 · see citing works
Graph optimization perspective for low-depth Trotter-Suzuki decomposition
Schmitz, A. T., Sawaya, N. P. D., Johri, S., & Matsuura, A. Y. (2024) · Physical Review A · doi:10.1103/physreva.109.042418 · Cited by 14 · see citing works
Quantum chemistry calculations using energy derivatives on quantum computers
Azad, U., & Singh, H. (2022) · Chemical Physics · doi:10.1016/j.chemphys.2022.111506 · Cited by 13 · see citing works
Boosting quantum amplitude exponentially in variational quantum algorithms
Kyaw, T. H., Soley, M. B., Allen, B., Bergold, P., Sun, C., Batista, V. S., & Aspuru‐Guzik, A. (2023) · Quantum Science and Technology · doi:10.1088/2058-9565/acf4ba · Cited by 14 · see citing works
Natural Orbitals and Sparsity of Quantum Mutual Information
Ratini, L., Capecci, C., & Guidoni, L. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.3c01325 · Cited by 12 · see citing works
Algorithm-oriented qubit mapping for variational quantum algorithms
Ji, Y., Chen, X., Polian, I., & Ban, Y. (2025) · Physical Review Applied · doi:10.1103/physrevapplied.23.034022 · Cited by 13 · see citing works
Excited-state molecular dynamics simulation based on variational quantum algorithms
Hirai, H. (2023) · Chemical Physics Letters · doi:10.1016/j.cplett.2023.140404 · Cited by 12 · see citing works
Robust measurement of wave function topology on NISQ quantum computers
Xiao, X., Freericks, J. K., & Kemper, A. F. (2023) · Quantum · doi:10.22331/q-2023-04-27-987 · Cited by 13 · see citing works
Kjellgren, E. R., Reinholdt, P., Fitzpatrick, A., Talarico, N. W., Jensen, P. W. K., Sauer, S. P. A., Coriani, S., Knecht, S., & Kongsted, J. (2024) · The Journal of Chemical Physics · doi:10.1063/5.0190594 · Cited by 11 · see citing works
Distributionally Robust Variational Quantum Algorithms With Shifted Noise
He, Z., Peng, B., Alexeev, Y., & Zhang, Z. (2024) · IEEE Transactions on Quantum Engineering · doi:10.1109/tqe.2024.3409309 · Cited by 13 · see citing works
Self-citationSimulation of a Diels–Alder reaction on a quantum computer
Liepuoniute, I., Motta, M., Pellegrini, T., Rice, J. E., Gujarati, T. P., Gil, S., & Jones, G. O. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d4cp01314j · Cited by 12 · see citing works
Exploiting In-Constraint Energy in Constrained Variational Quantum Optimization
Hao, T., Shaydulin, R., Pistoia, M., & Larson, J. M. (2022) · IEEE/ACM International Workshop on Quantum Computing Software (QCS) · doi:10.1109/qcs56647.2022.00017 · Cited by 14 · see citing works
Linear-Scaling Quantum Circuits for Computational Chemistry
Magoulas, I., & Evangelista, F. A. (2023) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.3c00376 · Cited by 11 · see citing works
Implementation of the Projective Quantum Eigensolver on a Quantum Computer
Misiewicz, J. P., & Evangelista, F. A. (2024) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c07429 · Cited by 11 · see citing works
Sun, J., Cheng, L., & Li, W. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.3c00886 · Cited by 10 · see citing works
Alfonso, D. R., Lee, Y., Paudel, H. P., & Duan, Y. (2025) · Applied Physics Reviews · doi:10.1063/5.0245874 · Cited by 10 · see citing works
Unitary Coupled Cluster: Seizing the Quantum Moment
Magoulas, I., & Evangelista, F. A. (2023) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c02781 · Cited by 10 · see citing works
Gustafson, E., Sherbert, K., Florio, A., Shirali, K., Chen, Y., Lamm, H., Valgushev, S. N., Weichselbaum, A., Economou, S. E., Pisarski, R. D., et al. (2025) · Physical Review Applied · doi:10.1103/physrevapplied.23.064002 · Cited by 13 · see citing works
Clifford circuit initialization for variational quantum algorithms
Cheng, M. H., Khosla, K. E., Self, C. N., Lin, M., Li, B. X., Medina, A. C., & Kim, M. S. (2025) · Physical Review A · doi:10.1103/physreva.111.062413 · Cited by 13 · see citing works
Pruned-ADAPT-VQE: Compacting Molecular Ansätze by Removing Irrelevant Operators
Vaquero-Sabater, N., Carreras, A., & Casanova, D. (2025) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c00535 · Cited by 9 · see citing works
Coupled cluster method tailored with quantum computing
Erhart, L., Yoshida, Y., Khinevich, V. E., & Mizukami, W. (2024) · Physical Review Research · doi:10.1103/physrevresearch.6.023230 · Cited by 8 · see citing works
Circuit-Efficient Qubit Excitation-Based Variational Quantum Eigensolver
Sun, Z., Li, X., Liu, J., Li, Z., & Yang, J. (2025) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c00119 · Cited by 8 · see citing works
BenchQC: A Benchmarking Toolkit for Quantum Computation
Pollard, N., & Choudhary, K. K. (2025) · Journal of Computational Chemistry · doi:10.1002/jcc.70202 · Cited by 8 · see citing works
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Bauman, N. P., Cunha, L. A., DePrince, A. E., Flick, J., Foley, J. J., Govind, N., Groenhof, G., Hoffmann, N. M., Kowalski, K., Li, X., et al. (2025) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c00801 · Cited by 8 · see citing works
Self-citationMixed quantum-classical dynamics for near term quantum computers
Bultrini, D., & Vendrell, O. (2023) · Communications Physics · doi:10.1038/s42005-023-01451-2 · Cited by 8 · see citing works
Rapid quantum approaches for combinatorial optimisation inspired by optimal state-transfer
Banks, R. J., Browne, D. E., & Warburton, P. A. (2024) · Quantum · doi:10.22331/q-2024-02-13-1253 · Cited by 8 · see citing works
Variational Adiabatic Transport of Tensor Networks
Kim, H., Fishman, M., & Sels, D. (2024) · PRX Quantum · doi:10.1103/prxquantum.5.020361 · Cited by 9 · see citing works
Simulator Demonstration of Large Scale Variational Quantum Algorithm on HPC Cluster
Morita, M., Tomita, Y., Koyama, J., & Kimura, K. (2024) · IEEE Access · doi:10.1109/access.2024.3415168 · Cited by 8 · see citing works
Noise-robust ground state energy estimates from deep quantum circuits
Vallury, H. J., Jones, M. A., White, G. A. L., Creevey, F. M., Hill, C. D., & Hollenberg, L. C. L. (2023) · Quantum · doi:10.22331/q-2023-09-11-1109 · Cited by 8 · see citing works
Challenges for Quantum Software Engineering: An Industrial Application Scenario Perspective
Carbonelli, C., Felderer, M., Jung, M., Lobe, E., Lochau, M., Luber, S. M., Mauerer, W., Ramler, R., Schaefer, I., & Schroth, C. (2024) · Springer eBooks · doi:10.1007/978-3-031-64136-7_12 · Cited by 7 · see citing works
A quantum annealing protocol to solve the nuclear shell model
Costa, E., Pérez-Obiol, A., Menéndez, J., Rios, A., García-Sáez, A., & Juliá-Díaz, B. (2025) · SciPost Physics · doi:10.21468/scipostphys.19.2.062 · Cited by 7 · see citing works
Shirai, S., Tseng, S.-Y., Iwakiri, H., Horiba, T., Hirai, H., & Koh, S. (2025) · ACS Omega · doi:10.1021/acsomega.5c03371 · Cited by 7 · see citing works
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene
Goings, J. J., Zhao, L., Jakowski, J., Morris, T., & Pooser, R. C. (2023) · IEEE International Conference on Quantum Computing and Engineering (QCE) · doi:10.1109/qce57702.2023.10187 · Cited by 7 · see citing works
Sivakumar, A., Nair, H. K., Joshi, A., Kenson Wesley, R., Videsh, A. P., & Reena Monica, P. (2024) · EPJ Quantum Technology · doi:10.1140/epjqt/s40507-024-00280-8 · Cited by 7 · see citing works
Yoshikura, T., Ten‐no, S., & Tsuchimochi, T. (2023) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c02800 · Cited by 7 · see citing works
Max-cut Clustering Utilizing Warm-Start QAOA and IBM RuntimePreprint
Beaulieu, D., & Pham, A. (2021) · arXiv (Cornell University) · doi:10.48550/arxiv.2108.13464 · Cited by 7 · see citing works
Ciaramelletti, C., Beseda, M., Consiglio, M., Lepori, L., Apollaro, T. J. G., & Paganelli, S. (2025) · Physical Review A · doi:10.1103/physreva.111.022437 · Cited by 6 · see citing works
Parametrization and optimizability of pulse-level variational quantum eigensolvers
Sherbert, K., Amer, H., Economou, S. E., Barnes, E., & Mayhall, N. J. (2025) · Physical Review Applied · doi:10.1103/physrevapplied.23.024036 · Cited by 6 · see citing works
Molecular electronic structure calculation via a quantum computer
Naeij, H. R., Mahmoudi, E., Yeganeh, H. D., & Akbari, M. (2024) · Computational and Theoretical Chemistry · doi:10.1016/j.comptc.2024.114945 · Cited by 7 · see citing works
Optimization of the variational quantum eigensolver for quantum chemistry applications
de Keijzer, R., Colussi, V. E., Škorić, B., & Kokkelmans, S. J. J. M. F. (2022) · AVS Quantum Science · doi:10.1116/5.0076435 · Cited by 6 · see citing works
- Authors
- Fedorov, D. A., Peng, B., Govind, N., & Alexeev, Y.
- Affiliations
- Oak Ridge Associated Universities (US)
- Pacific Northwest National Laboratory (US)
- Argonne National Laboratory (US)
- Corresponding author
- Fedorov, Dmitry A.
- Peng, Bo
- Govind, Niranjan
- Alexeev, Yuri
- Venue
- Materials Theory
- Published
- 2022-01-06
- Volume
- 6
- Issue
- 1
- ISSN
- 2509-8012 (ISSN-L)
- OpenAlex
- W4206745400
- Cited by
- 224
- References
- 101
- Citations by year
- 2026: 28 · 2025: 64 · 2024: 52 · 2023: 53 · 2022: 24 · 2021: 3
- FWCI
- 15.87
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Locations
- Materials Theory (publishedVersion, cc-by)
- arXiv (Cornell University) (submittedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- arXiv (Cornell University)
- Funders
- Office of Science (DE-SC002024, DE-AC02-06CH11357)
- Topics
- Physical Sciences › Computer Science › Artificial Intelligence › Quantum Computing Algorithms and Architecture
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Quantum many-body systems
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Keywords
- variational quantum eigensolver, variational ansatz, hybrid quantum-classical algorithms, hardware-efficient ansatz, electronic Schrödinger equation, molecular quantum chemistry, variational quantum algorithms, quantum chemistry on quantum computers
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review