Fault-tolerant quantum simulations of chemistry in first quantization
Open accessAbstract
The future is first-quantized: A complete cost analysis of quantum algorithms adapted to first quantization shows that the approach is unrivaled for high accuracy simulations of solid-state materials and certain chemical compounds.
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
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?
QC methods formulated using real-space 3D grids or plane waves as single-particle basis sets are able to simulate the total molecular wavefunction (including both the electronic and nuclear degrees of freedom) and its time evolution.
“QC methods formulated using real-space 3D grids [124] or plane waves [125] as single-particle basis sets are able to simulate the total molecular wavefunction (including both the electronic and nuclear degrees of freedom) and its time evolution.”
From Quantum computing algorithms: getting closer to critical problems in computational biology (2022) · cites this paper as [125]
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Cites
Unified Approach for Molecular Dynamics and Density-Functional Theory
Car, R., & Parrinello, M. (1985) · Physical Review Letters · doi:10.1103/physrevlett.55.2471 · Cited by 10,737 · 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
Efficacious Form for Model Pseudopotentials
Kleinman, L., & Bylander, D. M. (1982) · Physical Review Letters · doi:10.1103/physrevlett.48.1425 · Cited by 5,705 · see citing works
Zur Quantentheorie der Molekeln
Born, M. P., & Oppenheimer, R. (1927) · Annalen der Physik · doi:10.1002/andp.19273892002 · Cited by 4,963 · see citing works
Horn, R. A., & Johnson, C. R. (2012) · doi:10.1017/cbo9781139020411 · Cited by 4,642 · see citing works
Lloyd, S. (1996) · Science · doi:10.1126/science.273.5278.1073 · Cited by 3,088 · see citing works
Surface codes: Towards practical large-scale quantum computation
Fowler, A. G., Mariantoni, M., Martinis, J. M., & Cleland, A. N. (2012) · Physical Review A · doi:10.1103/physreva.86.032324 · Cited by 3,059 · see citing works
Periodic boundary conditions in ab initio calculations
Makov, G., & Payne, M. C. (1995) · Physical review. B, Condensed matter · doi:10.1103/physrevb.51.4014 · Cited by 3,004 · see citing works
Molecular Electronic‐Structure Theory
Helgaker, T., Jørgensen, P., & Olsen, J. (2000) · doi:10.1002/9781119019572 · Cited by 2,594 · see citing works
Basis-set convergence of correlated calculations on water
Helgaker, T. U., Klopper, W., Henrik Koch, A., & Noga, J. (1997) · The Journal of Chemical Physics · doi:10.1063/1.473863 · Cited by 2,555 · see citing works
Basis-set convergence in correlated calculations on Ne, N2, and H2O
Asger Halkier, A., Helgaker, T. U., Jørgensen, P., Klopper, W., Henrik Koch, A., Olsen, J., & Wilson, A. K. (1998) · Chemical Physics Letters · doi:10.1016/s0009-2614(98)00111-0 · Cited by 2,193 · see citing works
On the eigenfunctions of many‐particle systems in quantum mechanics
Kato, T. (1957) · Communications on Pure and Applied Mathematics · doi:10.1002/cpa.3160100201 · Cited by 2,044 · see citing works
Pseudopotentials periodic table: From H to Pu
Dal Corso, A. (2014) · Computational Materials Science · doi:10.1016/j.commatsci.2014.07.043 · Cited by 2,016 · see citing works
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2004) · doi:10.1017/cbo9780511805769 · Cited by 1,752 · 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
Marx, D., & Hutter, J. (2009) · Cambridge University Press eBooks · doi:10.1017/cbo9780511609633 · Cited by 1,498 · see citing works
Simulated Quantum Computation of Molecular Energies
Aspuru-Guzik, A., Dutoi, A. D., Love, P. J., & Head-Gordon, M. (2005) · Science · doi:10.1126/science.1113479 · Cited by 1,418 · see citing works
Characterizing quantum supremacy in near-term devices
Boixo, S., Isakov, S. V., Smelyanskiy, V. N., Babbush, R., Ding, N., Jiang, Z., Bremner, M. J., Martinis, J. M., & Neven, H. (2018) · Nature Physics · doi:10.1038/s41567-018-0124-x · Cited by 1,175 · see citing works
Self-citationPolanyi, J. C. (1972) · Accounts of Chemical Research · doi:10.1021/ar50053a001 · Cited by 892 · see citing works
Hamiltonian Simulation by Qubitization
Low, G. H., & Chuang, I. L. (2019) · Quantum · doi:10.22331/q-2019-07-12-163 · Cited by 854 · 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
Optimal Hamiltonian Simulation by Quantum Signal Processing
Low, G. H., & Chuang, I. L. (2017) · Physical Review Letters · doi:10.1103/physrevlett.118.010501 · Cited by 770 · see citing works
Elucidating reaction mechanisms on quantum computers
Reiher, M., Wiebe, N., Svore, K. M., Wecker, D., & Troyer, M. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1619152114 · Cited by 745 · see citing works
Self-citationSimulating Hamiltonian Dynamics with a Truncated Taylor Series
Berry, D. W., Childs, A. M., Cleve, R., Kothari, R., & Somma, R. D. (2015) · Physical Review Letters · doi:10.1103/physrevlett.114.090502 · Cited by 742 · see citing works
Self-citationAb Initio Nonadiabatic Quantum Molecular Dynamics
Curchod, B. F. E., & Martı́nez, T. J. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00423 · Cited by 717 · see citing works
Hamiltonian Simulation by Qubitization
Low, G. H., & Chuang, I. L. (2019) · DSpace@MIT (Massachusetts Institute of Technology) · Cited by 714 · 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
Martyna, G. J., & Tuckerman, M. E. (1999) · The Journal of Chemical Physics · doi:10.1063/1.477923 · Cited by 688 · see citing works
Discrete‐Variable Representations and their Utilization
Light, J. C., & Carrington, T. (2000) · Advances in chemical physics · doi:10.1002/9780470141731.ch4 · Cited by 634 · see citing works
(2004) · doi:10.1109/focs.2004.53 · Cited by 599 · see citing works
The Bravyi-Kitaev transformation for quantum computation of electronic structure
Seeley, J. T., Richard, M. J., & Love, P. J. (2012) · The Journal of Chemical Physics · doi:10.1063/1.4768229 · Cited by 585 · see citing works
Toward the first quantum simulation with quantum speedup
Childs, A. M., Maslov, D., Nam, Y., Ross, N. J., & Su, Y. (2018) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1801723115 · Cited by 551 · see citing works
Self-citationTheory of Trotter Error with Commutator Scaling
Childs, A. M., Su, Y., Tran, M. C., Wiebe, N., & Zhu, S. (2021) · Physical Review X · doi:10.1103/physrevx.11.011020 · Cited by 545 · see citing works
Self-citationExplicitly Correlated Electrons in Molecules
Hättig, C., Klopper, W., Köhn, A., & Tew, D. P. (2011) · Chemical Reviews · doi:10.1021/cr200168z · Cited by 534 · see citing works
Quantum Amplitude Amplification and Estimation
Gilles Brassard, A., Høyer, P., Mosca, M., & Tapp, A. (2000) · doi:10.48550/arxiv.quant-ph/0005055 · Cited by 514 · see citing works
Exact Coulomb cutoff technique for supercell calculations
Rozzi, C. A., Varsano, D., Marini, A., Gross, E. K. U., & Rubio, Á. (2006) · Physical Review B · doi:10.1103/physrevb.73.205119 · Cited by 497 · see citing works
Simulation of electronic structure Hamiltonians using quantum computers
Whitfield, J. D., Biamonte, J., & Aspuru-Guzik, A. (2011) · Molecular Physics · doi:10.1080/00268976.2011.552441 · Cited by 472 · see citing works
Quantum measurements and the Abelian Stabilizer ProblemPreprint
Kitaev, A. (1995) · arXiv (Cornell University) · Cited by 472 · see citing works
Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
Kivlichan, I. D., McClean, J., Wiebe, N., Gidney, C., Aspuru-Guzik, A., Chan, G. K.-L., & Babbush, R. (2018) · Physical Review Letters · doi:10.1103/physrevlett.120.110501 · Cited by 431 · see citing works
Self-citationAb Initio Molecular Dynamics: Basic Theory and Advanced Methods
Truhlar, D. G. (2010) · Physics Today · doi:10.1063/1.3366243 · Cited by 395 · see citing works
Polynomial-time quantum algorithm for the simulation of chemical dynamics
Kassal, I., Jordan, S. P., Love, P. J., Mohseni, M., & Aspuru-Guzik, A. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0808245105 · Cited by 385 · see citing works
Encoding Electronic Spectra in Quantum Circuits with Linear T Complexity
Babbush, R., Gidney, C., Berry, D. W., Wiebe, N., McClean, J., Paler, A., Fowler, A., & Neven, H. (2018) · Physical Review X · doi:10.1103/physrevx.8.041015 · Cited by 383 · see citing works
Self-citationHarl, J., & Kresse, G. (2008) · Physical Review B · doi:10.1103/physrevb.77.045136 · Cited by 373 · see citing works
Simulating physical phenomena by quantum networks
Somma, R. D., Ortíz, G., Gubernatis, J. E., Knill, E. H., & Laflamme, R. (2002) · Physical Review A · doi:10.1103/physreva.65.042323 · Cited by 364 · see citing works
Truncation of periodic image interactions for confined systems
Ismail‐Beigi, S. (2006) · Physical Review B · doi:10.1103/physrevb.73.233103 · Cited by 357 · see citing works
Random Compiler for Fast Hamiltonian Simulation
Campbell, E. T. (2019) · Physical Review Letters · doi:10.1103/physrevlett.123.070503 · Cited by 346 · 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
Self-citationExponential improvement in precision for simulating sparse Hamiltonians
Berry, D. W., Childs, A. M., Cleve, R., Kothari, R., & Somma, R. D. (2014) · Proceedings of the forty-sixth annual ACM symposium on Theory of computing · doi:10.1145/2591796.2591854 · Cited by 324 · see citing works
Self-citationNonadiabatic Quantum Chemistry—Past, Present, and Future
Yarkony, D. R. (2011) · Chemical Reviews · doi:10.1021/cr2001299 · Cited by 314 · see citing works
Quantum computing and the entanglement frontier
Preskill, J. (2012) · arXiv · doi:10.48550/arxiv.1203.5813 · Cited by 308 · see citing works
Even More Efficient Quantum Computations of Chemistry Through Tensor Hypercontraction
Lee, J., Berry, D. W., Gidney, C., Huggins, W. J., McClean, J. R., Wiebe, N., & Babbush, R. (2021) · PRX Quantum · doi:10.1103/prxquantum.2.030305 · Cited by 304 · see citing works
Self-citationGate-count estimates for performing quantum chemistry on small quantum computers
Wecker, D., Bauer, B., Clark, B. K., Hastings, M. B., & Troyer, M. (2014) · Physical Review A · doi:10.1103/physreva.90.022305 · Cited by 296 · see citing works
Halving the cost of quantum addition
Gidney, C. (2018) · Quantum · doi:10.22331/q-2018-06-18-74 · Cited by 279 · see citing works
Quantum computing enhanced computational catalysis
von Burg, V., Low, G. H., Häner, T., Steiger, D. S., Reiher, M., Roetteler, M., & Troyer, M. (2021) · Physical Review Research · doi:10.1103/physrevresearch.3.033055 · Cited by 259 · see citing works
CHEMICAL REACTION DYNAMICS BEYOND THE BORN-OPPENHEIMER APPROXIMATION
Butler, L. J. (1998) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.49.1.125 · Cited by 233 · see citing works
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals
Sayfutyarova, E. R., Sun, Q., Chan, G. K., & Knizia, G. (2017) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.7b00128 · Cited by 233 · see citing works
Fast parallel circuits for the quantum Fourier transform
Cleve, R., & Watrous, J. (2002) · Annual Symposium on Foundations of Computer Science · doi:10.1109/sfcs.2000.892140 · Cited by 223 · see citing works
Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
Berry, D. W., Gidney, C., Motta, M., McClean, J. R., & Babbush, R. (2019) · Quantum · doi:10.22331/q-2019-12-02-208 · Cited by 222 · see citing works
Self-citationSimulation of Electronic Structure Hamiltonians Using Quantum Computers
Whitfield, J. D., Biamonte, J., & Aspuru‐Guzik, A. (2011) · Digital Access to Scholarship at Harvard (DASH) (Harvard University) · Cited by 218 · see citing works
Efficient distributed quantum computing
Beals, R., BRIERLEY, S. D., Gray, O., Harrow, A. W., Kutin, S., Linden, N., Shepherd, D. J., & Stather, M. (2013) · Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences · doi:10.1098/rspa.2012.0686 · Cited by 212 · see citing works
Mapping local Hamiltonians of fermions to local Hamiltonians of spins
Verstraete, F., & Cirac, J. I. (2005) · Journal of Statistical Mechanics: Theory and Experiment · doi:10.1088/1742-5468/2005/09/p09012 · Cited by 196 · 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
Self-citationAdiabatic Quantum Simulation of Quantum Chemistry
Babbush, R., Love, P. J., & Aspuru-Guzik, A. (2014) · Scientific Reports · doi:10.1038/srep06603 · Cited by 191 · see citing works
Self-citationCar–Parrinello molecular dynamics
Hutter, J. (2011) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.90 · Cited by 182 · see citing works
Low rank representations for quantum simulation of electronic structure
Motta, M., Ye, E., McClean, J. R., Li, Z., Minnich, A. J., Babbush, R., & Chan, G. K. (2021) · npj Quantum Information · doi:10.1038/s41534-021-00416-z · Cited by 179 · see citing works
Self-citationKivlichan, I. D., Gidney, C., Berry, D. W., Wiebe, N., McClean, J., Sun, W., Jiang, Z., Rubin, N., Fowler, A., Aspuru-Guzik, A., et al. (2020) · Quantum · doi:10.22331/q-2020-07-16-296 · Cited by 173 · see citing works
Self-citationTapering off qubits to simulate fermionic HamiltoniansPreprint
Bravyi, S. B., Gambetta, J., Mezzacapo, A., & Temme, K. (2017) · arXiv (Cornell University) · doi:10.48550/arxiv.1701.08213 · Cited by 172 · 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
Self-citationThe Trotter step size required for accurate quantum simulation of quantum chemistry
Poulin, D., Hastings, M. B., Wecker, D., Wiebe, N., Doberty, A. C., & Troyer, M. (2015) · Quantum Information and Computation · doi:10.26421/qic15.5-6-1 · Cited by 159 · see citing works
Self-citationSundararaman, R., & Arias, T. A. (2013) · Physical Review B · doi:10.1103/physrevb.87.165122 · Cited by 158 · see citing works
Klopper, W. (1995) · The Journal of Chemical Physics · doi:10.1063/1.469351 · Cited by 154 · see citing works
Gidney, C., & Fowler, A. G. (2019) · Quantum · doi:10.22331/q-2019-04-30-135 · Cited by 152 · see citing works
Faster quantum chemistry simulation on fault-tolerant quantum computers
Cody Jones, N., Whitfield, J. D., McMahon, P. L., Yung, M.-H., Meter, R. V., Aspuru-Guzik, A., & Yamamoto, Y. (2012) · New Journal of Physics · doi:10.1088/1367-2630/14/11/115023 · Cited by 145 · see citing works
Improved techniques for preparing eigenstates of fermionic Hamiltonians
Berry, D. W., Kieferová, M., Scherer, A., Sanders, Y. R., Low, G. H., Wiebe, N., Gidney, C., & Babbush, R. (2018) · npj Quantum Information · doi:10.1038/s41534-018-0071-5 · Cited by 142 · see citing works
Self-citationExponentially more precise quantum simulation of fermions in second quantization
Babbush, R., Berry, D. W., Kivlichan, I. D., Wei, A. Y., Love, P. J., & Aspuru-Guzik, A. (2016) · New Journal of Physics · doi:10.1088/1367-2630/18/3/033032 · Cited by 135 · see citing works
Self-citationShepherd, J. J., Grüneis, A., Booth, G. H., Kresse, G., & Alavi, A. (2012) · Physical Review B · doi:10.1103/physrevb.86.035111 · Cited by 127 · see citing works
Li, Z., Li, J., Dattani, N. S., Umrigar, C. J., & Chan, G. K. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5063376 · Cited by 121 · see citing works
Selection of active spaces for multiconfigurational wavefunctions
Keller, S. F., Bogusławski, K., Janowski, T., Reiher, M., & Pulay, P. (2015) · The Journal of Chemical Physics · doi:10.1063/1.4922352 · Cited by 116 · see citing works
Calculating the thermal rate constant with exponential speedup on a quantum computer
Lidar, D. A., & Wang, H. (1999) · Physical Review E · doi:10.1103/physreve.59.2429 · Cited by 115 · see citing works
Compilation of Fault-Tolerant Quantum Heuristics for Combinatorial Optimization
Sanders, Y. R., Berry, D. W., Costa, P. C. S., Tessler, L. W., Wiebe, N., Gidney, C., Neven, H., & Babbush, R. (2020) · PRX Quantum · doi:10.1103/prxquantum.1.020312 · Cited by 112 · see citing works
Self-citationQuantum Algorithm for Spectral Measurement with a Lower Gate Count
Poulin, D., Kitaev, A., Steiger, D. S., Hastings, M. B., & Troyer, M. (2018) · Physical Review Letters · doi:10.1103/physrevlett.121.010501 · Cited by 108 · see citing works
Black-Box Quantum State Preparation without Arithmetic
Sanders, Y. R., Low, G. H., Scherer, A., & Berry, D. W. (2019) · Physical Review Letters · doi:10.1103/physrevlett.122.020502 · Cited by 107 · see citing works
Self-citationQuantum 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
Self-citationautoCAS : A Program for Fully Automated Multiconfigurational Calculations
Stein, C. J., & Reiher, M. (2019) · Journal of Computational Chemistry · doi:10.1002/jcc.25869 · Cited by 104 · see citing works
Bravyi-Kitaev Superfast simulation of electronic structure on a quantum computer
Setia, K., & Whitfield, J. D. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5019371 · Cited by 103 · see citing works
Bauman, N. P., Bylaska, E. J., Krishnamoorthy, S., Low, G. H., Wiebe, N., Granade, C., Roetteler, M., Troyer, M., & Kowalski, K. (2019) · The Journal of Chemical Physics · doi:10.1063/1.5094643 · Cited by 98 · see citing works
Self-citationKim, I. H., Liu, Y.-H., Pallister, S., Pol, W., Roberts, S., & Lee, E. (2022) · Physical Review Research · doi:10.1103/physrevresearch.4.023019 · Cited by 95 · see citing works
Elfving, V. E., Broer, B. W., Webber, M., Gavartin, J. L., Halls, M. D., Lorton, K. P., & Bochevarov, A. D. (2020) · arXiv (Cornell University) · doi:10.48550/arxiv.2009.12472 · Cited by 93 · see citing works
Faster Digital Quantum Simulation by Symmetry Protection
Tran, M. C., Su, Y., Carney, D., & Taylor, J. M. (2021) · PRX Quantum · doi:10.1103/prxquantum.2.010323 · Cited by 91 · see citing works
Self-citationTrading T gates for dirty qubits in state preparation and unitary synthesis
Low, G. H., Kliuchnikov, V., & Schaeffer, L. (2024) · Quantum · doi:10.22331/q-2024-06-17-1375 · Cited by 89 · see citing works
Babbush, R., Berry, D. W., Sanders, Y. R., Kivlichan, I., Scherer, A., Wei, A. Y., Love, P. J., & Aspuru‐Guzik, A. (2017) · Quantum Science and Technology · doi:10.1088/2058-9565/aa9463 · Cited by 85 · see citing works
Self-citationHamiltonian simulation in the low-energy subspace
Şahinoğlu, B., & Somma, R. D. (2021) · npj Quantum Information · doi:10.1038/s41534-021-00451-w · Cited by 85 · see citing works
Mapping local Hamiltonians of fermions to local Hamiltonians of spins
Verstraete, F., & Cirac, J. I. (2005) · CaltechAUTHORS (California Institute of Technology) · Cited by 85 · see citing works
Optimizing Quantum Circuits for ArithmeticPreprint
Häner, T., Roetteler, M., & Svore, K. M. (2018) · arXiv (Cornell University) · doi:10.48550/arxiv.1805.12445 · Cited by 84 · see citing works
Füsti-Molnár, L., & Pulay, P. (2002) · The Journal of Chemical Physics · doi:10.1063/1.1467901 · Cited by 80 · see citing works
Tosoni, S., Tuma, C., Sauer, J., Civalleri, B., & Ugliengo, P. (2007) · The Journal of Chemical Physics · doi:10.1063/1.2790019 · Cited by 80 · see citing works
Motta, M., Gujarati, T. P., Rice, J. E., Kumar, A., Masteran, C., Latone, J. A., Lee, E., Valeev, E. F., & Takeshita, T. Y. (2020) · Physical Chemistry Chemical Physics · doi:10.1039/d0cp04106h · Cited by 76 · see citing works
Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
Grüneis, A., Shepherd, J. J., Alavi, A., Tew, D. P., & Booth, G. H. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4818753 · Cited by 71 · see citing works
From plane waves to local Gaussians for the simulation of correlated periodic systems
Booth, G. H., Tsatsoulis, T., Chan, G. K.-L., & Grüneis, A. (2016) · The Journal of Chemical Physics · doi:10.1063/1.4961301 · Cited by 70 · see citing works
Quantum Algorithm for Simulating Real Time Evolution of Lattice Hamiltonians
Haah, J., Hastings, M. B., Kothari, R., & Low, G. H. (2018) · Annual Symposium on Foundations of Computer Science · doi:10.1109/focs.2018.00041 · Cited by 70 · see citing works
Bounding the costs of quantum simulation of many-body physics in real space
Kivlichan, I. D., Wiebe, N., Babbush, R., & Aspuru‐Guzik, A. (2017) · Journal of Physics A Mathematical and Theoretical · doi:10.1088/1751-8121/aa77b8 · Cited by 66 · see citing works
Self-citationSimulating the dynamics of time-dependent Hamiltonians with a truncated Dyson series
Kieferová, M., Scherer, A., & Berry, D. W. (2019) · Physical Review A · doi:10.1103/physreva.99.042314 · Cited by 66 · see citing works
Self-citationNearly tight Trotterization of interacting electrons
Su, Y., Huang, H.-Y., & Campbell, E. T. (2021) · Quantum · doi:10.22331/q-2021-07-05-495 · Cited by 63 · see citing works
Self-citationVariational Localized Active Space Self-Consistent Field Method
Hermes, M. R., Pandharkar, R., & Gagliardi, L. (2020) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.0c00222 · Cited by 61 · see citing works
Quantum switching and quantum merge sorting
Cheng, S.-T., & Wang, C.-Y. (2006) · IEEE Transactions on Circuits and Systems I Fundamental Theory and Applications · doi:10.1109/tcsi.2005.856669 · Cited by 57 · see citing works
Majorana Loop Stabilizer Codes for Error Mitigation in Fermionic Quantum Simulations
Zhang, J., McClean, J. R., Babbush, R., & Neven, H. (2019) · Physical Review Applied · doi:10.1103/physrevapplied.12.064041 · Cited by 57 · see citing works
Self-citationNon-adiabaticity: the importance of conical intersections
Zhu, X., & Yarkony, D. R. (2016) · Molecular Physics · doi:10.1080/00268976.2016.1170218 · Cited by 56 · see citing works
Hamiltonian Simulation in the Interaction PicturePreprint
Low, G. H., & Wiebe, N. (2018) · arXiv (Cornell University) · doi:10.48550/arxiv.1805.00675 · Cited by 53 · see citing works
Self-citationBao, J. J., & Truhlar, D. G. (2019) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.9b00535 · Cited by 49 · see citing works
Nearly tight Trotterization of interacting electrons
Su, Y., Huang, H.-Y., & Campbell, E. T. (2020) · CaltechAUTHORS (California Institute of Technology) · Cited by 49 · see citing works
Self-citationTwenty-Five Comparators Is Optimal When Sorting Nine Inputs (and Twenty-Nine for Ten)
Codish, M., Cruz-Filipe, L., Frank, M., & Schneider–Kamp, P. (2014) · IEEE International Conference on Tools with Artificial Intelligence (ICTAI) · doi:10.1109/ictai.2014.36 · Cited by 38 · see citing works
Hierarchical Reversible Logic Synthesis Using LUTs
Soeken, M., Roetteler, M., Wiebe, N., & Micheli, G. D. (2017) · ACM/IEEE Design Automation Conference (DAC) · doi:10.1145/3061639.3062261 · Cited by 21 · see citing works
Self-citationDiscontinuous Galerkin discretization for quantum simulation of chemistry
McClean, J. R., Faulstich, F. M., Zhu, Q., O’Gorman, B., Qiu, Y., White, S. R., Babbush, R., & Lin, L. (2020) · New Journal of Physics · doi:10.1088/1367-2630/ab9d9f · Cited by 21 · see citing works
Self-citationExploiting fermion number in factorized decompositions of the electronic structure Hamiltonian
McArdle, S., Campbell, E. T., & Su, Y. (2022) · Physical Review A · doi:10.1103/physreva.105.012403 · Cited by 17 · see citing works
Self-citation
Flagged first, then by citations
2 of the 116 references couldn’t be matched to a known paper.
Research works printed but not linked: 10
- Matthew B. Hastings, Dave Wecker, Bela Bauer, and Matthias Troyer, Improving quantum algorithms for quan- tum chemistry, Quantum Inf. Comput. 15, 1 (2015).
- Richard M. Martin, Electronic Structure (Cambridge Uni- versity Press, Cambridge, U.K., 2004).
- Andrew M. Childs and Nathan Wiebe, Hamiltonian sim- ulation using linear combinations of unitary operations, Quantum Inf. Comput. 12, 901 (2012).
- Mario Szegedy, in 45th Annual IEEE Symposium on Foundations of Computer Science (IEEE, 2004), p. 32.
- Dominic W. Berry, Richard Cleve, and Sevag Gharib- ian, Gate-efficient discrete simulations of continuous-time quantum query algorithms, Quantum Inf. Comput. 14, 0001 (2014).
- Michael Codish, Luís Cruz-Filipe, Michael Frank, and Peter Schneider-Kamp, in 2014 IEEE 26th International Conference on Tools with Artificial Intelligence (2014), p. 186.
- Richard Cleve and John Watrous, in Proceedings 41st Annual Symposium on Foundations of Computer Science (IEEE, 2000), p. 526.
- Dominic W. Berry, Andrew M. Childs, Richard Cleve, Robin Kothari, and Rolando D. Somma, in STOC '14 Pro- ceedings of the 46th Annual ACM Symposium on Theory of Computing (2014), p. 283.
- Mathias Soeken, Martin Roetteler, Nathan Wiebe, and Giovanni De Micheli, in 2017 54th ACM/EDAC/IEEE Design Automation Conference (DAC) (IEEE, 2017), p. 1.
- Bill Poirier and Jonathan Jerke, Full-Dimensional Schrödinger Wavefunction Calculations using Tensors and Quantum Computers: the Cartesian component- separated approach, arXiv:2105.03787 (2021). · arXiv
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
Kim, I. H., Liu, Y.-H., Pallister, S., Pol, W., Roberts, S., & Lee, E. (2022) · Physical Review Research · doi:10.1103/physrevresearch.4.023019 · Cited by 95 · see citing works
Experimental quantum computational chemistry with optimized unitary coupled cluster ansatz
Guo, S., Sun, J., Qian, H., Gong, M., Zhang, Y., Chen, F., Ye, Y., Wu, Y., Cao, S., Liu, K., et al. (2024) · Nature Physics · doi:10.1038/s41567-024-02530-z · Cited by 78 · see citing works
Benchmarking quantum computers
Proctor, T. J., Young, K. C., Baczewski, A., & Blume-Kohout, R. (2025) · Nature Reviews Physics · doi:10.1038/s42254-024-00796-z · Cited by 78 · see citing works
Exact and efficient Lanczos method on a quantum computer
Kirby, W., Motta, M., & Mezzacapo, A. (2023) · Quantum · doi:10.22331/q-2023-05-23-1018 · Cited by 65 · see citing works
Nearly tight Trotterization of interacting electrons
Su, Y., Huang, H.-Y., & Campbell, E. T. (2021) · Quantum · doi:10.22331/q-2021-07-05-495 · Cited by 63 · see citing works
Self-citationTowards near-term quantum simulation of materials
Clinton, L., Cubitt, T. S., Flynn, B., Gambetta, F. M., Klassen, J., Montanaro, A., Piddock, S., Santos, R. A., & Sheridan, E. (2024) · Nature Communications · doi:10.1038/s41467-023-43479-6 · Cited by 60 · see citing works
Efficient quantum computation of molecular forces and other energy gradients
O’Brien, T. E., Streif, M., Rubin, N. C., Santagati, R., Su, Y., Huggins, W. J., Goings, J. J., Moll, N., Kyoseva, E. S., Degroote, M., et al. (2022) · Physical Review Research · doi:10.1103/physrevresearch.4.043210 · Cited by 56 · see citing works
Self-citationSimulating key properties of lithium-ion batteries with a fault-tolerant quantum computer
Delgado, A., Casares, P. A. M., dos Reis, R., Zini, M. S., Campos, R., Hernández, N. C., Voigt, A.-C., Lowe, A., Jahangiri, S., Martin-Delgado, M. A., et al. (2022) · Physical Review A · doi:10.1103/physreva.106.032428 · Cited by 56 · see citing works
Davoudi, Z., Shaw, A. F., & Stryker, J. R. (2023) · Quantum · doi:10.22331/q-2023-12-20-1213 · Cited by 56 · 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
“Although less discussed, particularly in the context of nearfuture applications, QC methods formulated using real-space 3D grids [124] or plane waves [125] as single-particle basis sets are able to simulate the total molecular wavefunction (including both the electronic and nuclear degrees of freedom) and its time evo…”
BackgroundGrid-based methods for chemistry simulations on a quantum computer
Chan, H. H. S., Meister, R., Jones, T., Tew, D. P., & Benjamin, S. C. (2023) · Science Advances · doi:10.1126/sciadv.abo7484 · Cited by 46 · see citing works
Hybridized Methods for Quantum Simulation in the Interaction Picture
Rajput, A., Roggero, A., & Wiebe, N. (2022) · Quantum · doi:10.22331/q-2022-08-17-780 · Cited by 46 · see citing works
Self-citationAn, D., Fang, D., & Lin, L. (2022) · Quantum · doi:10.22331/q-2022-04-15-690 · Cited by 41 · 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
Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals
Rubin, N. C., Berry, D. W., Malone, F. D., White, A. F., Khattar, T., DePrince, A. E., Sicolo, S., Kühn, M., Kaicher, M., Lee, J., et al. (2023) · PRX Quantum · doi:10.1103/prxquantum.4.040303 · Cited by 37 · see citing works
Self-citationImplementing any Linear Combination of Unitaries on Intermediate-term Quantum Computers
Chakraborty, S. (2024) · Quantum · doi:10.22331/q-2024-10-10-1496 · Cited by 36 · see citing works
Quantum algorithm for time-dependent differential equations using Dyson series
Berry, D. W., & Costa, P. C. S. (2024) · Quantum · doi:10.22331/q-2024-06-13-1369 · Cited by 35 · see citing works
Self-citationT-count and T-depth of any multi-qubit unitary
Gheorghiu, V., Mosca, M., & Mukhopadhyay, P. (2022) · npj Quantum Information · doi:10.1038/s41534-022-00651-y · Cited by 34 · see citing works
Kang, M., Nuomin, H., Chowdhury, S. N., Yuly, J. L., Sun, K., Whitlow, J., Valdiviezo, J., Zhang, Z., Zhang, P., Beratan, D. N., et al. (2024) · Nature Reviews Chemistry · doi:10.1038/s41570-024-00595-1 · Cited by 33 · see citing works
Quantum computation for periodic solids in second quantization
Ivanov, A. V., Sünderhauf, C., Holzmann, N., Ellaby, T., Kerber, R. N., Jones, G. A., & Camps, J. (2023) · Physical Review Research · doi:10.1103/physrevresearch.5.013200 · Cited by 33 · see citing works
Babbush, R., Huggins, W. J., Berry, D. W., Ung, S. F., Zhao, A., Reichman, D. R., Neven, H., Baczewski, A. D., & Lee, J. (2023) · Nature Communications · doi:10.1038/s41467-023-39024-0 · Cited by 32 · see citing works
Self-citationQuantum simulation of real-space dynamics
Childs, A. M., Leng, J., Li, T., Liu, J.-P., & Zhang, C. (2022) · Quantum · doi:10.22331/q-2022-11-17-860 · Cited by 32 · see citing works
Exact quantum dynamics developments for floppy molecular systems and complexes
Mátyus, E., Daría, A. M. S., & Avila, G. (2022) · Chemical Communications · doi:10.1039/d2cc05123k · Cited by 29 · see citing works
Complexity of Implementing Trotter Steps
Low, G. H., Su, Y., Tong, Y., & Tran, M. C. (2023) · PRX Quantum · doi:10.1103/prxquantum.4.020323 · Cited by 29 · see citing works
Self-citationQuantum computation of stopping power for inertial fusion target design
Rubin, N. C., Berry, D. W., Kononov, A., Malone, F. D., Khattar, T., White, A. F., Lee, J., Neven, H., Babbush, R., & Baczewski, A. (2024) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.2317772121 · Cited by 28 · see citing works
Self-citationExponential Improvements in the Simulation of Lattice Gauge Theories Using Near-Optimal Techniques
Rhodes, M. L., Kreshchuk, M., & Pathak, S. (2024) · PRX Quantum · doi:10.1103/prxquantum.5.040347 · Cited by 25 · see citing works
The basics of quantum computing for chemists
Claudino, D. (2022) · International Journal of Quantum Chemistry · doi:10.1002/qua.26990 · Cited by 24 · see citing works
Hagan, M., & Wiebe, N. (2023) · Quantum · doi:10.22331/q-2023-11-14-1181 · Cited by 23 · see citing works
Self-citationQuantum simulation of battery materials using ionic pseudopotentials
Zini, M. S., Delgado, A., dos Reis, R., Casares, P. A. M., Mueller, J. E., Voigt, A.-C., & Arrazola, J. M. (2023) · Quantum · doi:10.22331/q-2023-07-10-1049 · Cited by 22 · see citing works
Quantum simulations of chemistry in first quantization with any basis set
Georges, T. N., Bothe, M., Sünderhauf, C., Berntson, B. K., Izsák, R., & Ivanov, A. V. (2025) · npj Quantum Information · doi:10.1038/s41534-025-00987-1 · Cited by 21 · see citing works
Jensen, P. W. K., Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Coriani, S., Kongsted, J., & Sauer, S. P. A. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.4c00069 · Cited by 19 · see citing works
Quantum simulation of realistic materials in first quantization using non-local pseudopotentials
Berry, D. W., Rubin, N. C., Elnabawy, A. O., Ahlers, G., DePrince, A. E., Lee, J., Gogolin, C., & Babbush, R. (2024) · npj Quantum Information · doi:10.1038/s41534-024-00896-9 · Cited by 19 · see citing works
Self-citationDifferentiable quantum computational chemistry with PennyLanePreprint
Arrazola, J. M., Jahangiri, S., Delgado, A., Ceroni, J., Izaac, J., Száva, A., Azad, U., Lang, R. A., Niu, Z., Matteo, O. D., et al. (2021) · arXiv (Cornell University) · doi:10.48550/arxiv.2111.09967 · Cited by 19 · see citing works
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz Schemes
Huang, B., Sheng, N., Govoni, M., & Galli, G. (2023) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.2c01119 · Cited by 18 · see citing works
Fault-tolerant quantum computation of molecular observables
Steudtner, M., Morley-Short, S., Pol, W., Sim, S., Cortes, C. L., Loipersberger, M., Parrish, R. M., Degroote, M., Moll, N., Santagati, R., et al. (2023) · Quantum · doi:10.22331/q-2023-11-06-1164 · Cited by 18 · see citing works
Importance sampling for stochastic quantum simulations
Kiss, O., Grossi, M., & Roggero, A. (2023) · Quantum · doi:10.22331/q-2023-04-13-977 · Cited by 17 · see citing works
Exploiting fermion number in factorized decompositions of the electronic structure Hamiltonian
McArdle, S., Campbell, E. T., & Su, Y. (2022) · Physical Review A · doi:10.1103/physreva.105.012403 · Cited by 17 · see citing works
Self-citationO’Brien, T. E., Ioffe, L. B., Su, Y., Fushman, D., Neven, H., Babbush, R., & Smelyanskiy, V. (2022) · PRX Quantum · doi:10.1103/prxquantum.3.030345 · Cited by 17 · see citing works
Self-citationHamiltonian dynamics on digital quantum computers without discretization error
Granet, E., & Dreyer, H. (2024) · npj Quantum Information · doi:10.1038/s41534-024-00877-y · Cited by 16 · see citing works
Selection and Improvement of Product Formulae for Best Performance of Quantum Simulation
Morales, M. E. S., Costa, P. C. S., Pantaleoni, G., Burgarth, D. K., Sanders, Y. R., & Berry, D. W. (2025) · Quantum Information and Computation · doi:10.2478/qic-2025-0001 · Cited by 16 · see citing works
Self-citationSuccess of digital adiabatic simulation with large Trotter step
Yi, C. (2021) · Physical Review A · doi:10.1103/physreva.104.052603 · Cited by 16 · see citing works
Quantum error mitigation for Fourier moment computation
Kiss, O., Grossi, M., & Roggero, A. (2025) · Physical review. D/Physical review. D. · doi:10.1103/physrevd.111.034504 · Cited by 15 · see citing works
Optimal scheduling in probabilistic imaginary-time evolution on a quantum computer
Nishi, H., Hamada, K., Nishiya, Y., Kosugi, T., & Matsushita, Y. (2023) · Physical Review Research · doi:10.1103/physrevresearch.5.043048 · Cited by 15 · see citing works
Grand Challenge of Quantum Applications
Babbush, R., King, R., Boixo, S., Huggins, W. J., Khattar, T., Low, G. H., McClean, J. R., O’Brien, T. E., & Rubin, N. C. (2026) · PRX Quantum · doi:10.1103/6r9l-lynr · Cited by 13 · see citing works
Self-citationSimulating lattice quantum electrodynamics on a quantum computer
Kan, A., & Nam, Y. (2022) · Quantum Science and Technology · doi:10.1088/2058-9565/aca0b8 · Cited by 13 · see citing works
Efficient State Preparation for the Quantum Simulation of Molecules in First Quantization
Huggins, W. J., Leimkuhler, O., Stetina, T. F., & Whaley, K. B. (2025) · PRX Quantum · doi:10.1103/prxquantum.6.020319 · Cited by 12 · see citing works
Pathak, S., Russo, A., Seritan, S., & Baczewski, A. (2023) · Physical Review A · doi:10.1103/physreva.107.l040601 · Cited by 11 · see citing works
Dissipative ground state preparation in ab initio electronic structure theory
Li, H.-E., Zhan, Y., & Lin, L. (2025) · npj Quantum Information · doi:10.1038/s41534-025-01124-8 · Cited by 11 · see citing works
Somma, R. D., King, R., Kothari, R., O’Brien, T. E., & Babbush, R. (2025) · Nature Communications · doi:10.1038/s41467-025-57451-z · Cited by 9 · see citing works
Self-citationCode switching revisited: Low-overhead magic state preparation using color codes
Daguerre, L., & Kim, I. H. (2025) · Physical Review Research · doi:10.1103/physrevresearch.7.023080 · Cited by 9 · see citing works
Time-Dependent Hamiltonian Simulation via Magnus Expansion: Algorithm and Superconvergence
Fang, D., Liu, D., & Sarkar, R. (2025) · Communications in Mathematical Physics · doi:10.1007/s00220-025-05314-5 · Cited by 9 · see citing works
Quantum algorithm for vibronic dynamics: case study on singlet fission solar cell design
Motlagh, D., Lang, R. A., Jain, P. L., Campos-Gonzalez-Angulo, J. A., Maxwell, W., Zeng, T., Aspuru‐Guzik, A., & Arrazola, J. M. (2025) · Quantum Science and Technology · doi:10.1088/2058-9565/ae0828 · Cited by 9 · see citing works
Chemically motivated simulation problems are efficiently solvable on a quantum computer
Schleich, P., Kristensen, L. B., Campos-Gonzalez-Angulo, J. A., Aldossary, A., Avagliano, D., Bagherimehrab, M., Gorgulla, C., Fitzsimons, J., & Aspuru‐Guzik, A. (2025) · Digital Discovery · doi:10.1039/d5dd00377f · Cited by 9 · see citing works
Casares, P. A. M., Campos, R., & Martin-Delgado, M. A. (2022) · Quantum · doi:10.22331/q-2022-07-20-768 · Cited by 9 · see citing works
Ivanov, A. V., Patterson, A. D., Bothe, M., Sünderhauf, C., Berntson, B. K., Mortensen, J. J., Kuisma, M. J., Campbell, E. T., & Izsák, R. (2025) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c00551 · Cited by 8 · see citing works
Improved Precision Scaling for Simulating Coupled Quantum-Classical Dynamics
Simon, S., Santagati, R., Degroote, M., Moll, N., Streif, M., & Wiebe, N. (2024) · PRX Quantum · doi:10.1103/prxquantum.5.010343 · Cited by 8 · see citing works
Self-citationQuantum Equation-of-Motion Method with Single, Double, and Triple Excitations
Zheng, Y., Sun, Z., Liu, J., Fan, Y., Li, Z., & Yang, J. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.4c01071 · Cited by 8 · see citing works
Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices
Kang, C. T., Soley, M. B., Crane, E., Girvin, S. M., & Wiebe, N. (2025) · Journal of Physics A Mathematical and Theoretical · doi:10.1088/1751-8121/adb5df · Cited by 8 · see citing works
Self-citationQuantum computing for corrosion simulation: workflow and resource analysis
Nguyen, N., Watts, T. W., Link, B., Williams, K. S., Sanders, Y. R., Elman, S. J., Kieferová, M., Bremner, M. J., Morrell, K. J., Elenewski, J. E., et al. (2026) · npj Quantum Information · doi:10.1038/s41534-025-01171-1 · Cited by 8 · see citing works
Towards near-term quantum simulation of materialsPreprint
Clinton, L., Cubitt, T. S., Flynn, B., Gambetta, F. M., Klassen, J., Montanaro, A., Piddock, S., Santos, R. A., & Sheridan, E. (2022) · arXiv (Cornell University) · doi:10.48550/arxiv.2205.15256 · Cited by 8 · see citing works
Cortes, C. L., Rocca, D., Gonthier, J. F., Ollitrault, P. J., Parrish, R. M., Anselmetti, G.-L., Degroote, M., Moll, N., Santagati, R., & Streif, M. (2024) · Physical Review A · doi:10.1103/physreva.110.022420 · Cited by 7 · see citing works
Explicit block encodings of boundary value problems for many-body elliptic operators
Kharazi, T., Alkadri, A. M., Liu, J.-P., Mandadapu, K. K., & Whaley, K. B. (2025) · Quantum · doi:10.22331/q-2025-06-04-1764 · Cited by 7 · see citing works
Exponential Learning Advantages with Conjugate States and Minimal Quantum Memory
King, R., Wan, K., & McClean, J. R. (2024) · PRX Quantum · doi:10.1103/prxquantum.5.040301 · Cited by 7 · see citing works
Practicality of a quantum adiabatic algorithm for chemistry applications
Granet, E., Ghanem, K., & Dreyer, H. (2025) · Physical Review A · doi:10.1103/physreva.111.022428 · Cited by 7 · see citing works
Schlimgen, A. W., Guo, Y., & Head-Marsden, K. (2023) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.3c03827 · Cited by 7 · see citing works
Phase Estimation with Partially Randomized Time Evolution
Günther, J., Witteveen, F., Schmidhuber, A., Miller, M., Christandl, M., & Harrow, A. W. (2026) · PRX Quantum · doi:10.1103/ynxb-p2xq · Cited by 6 · see citing works
Yeo, H., Kim, H. E., Sohn, I., & Jeong, K. (2025) · Physical Review Applied · doi:10.1103/physrevapplied.23.054066 · Cited by 6 · see citing works
Efficient Simulation of Quantum Chemistry Problems in an Enlarged Basis Set
Luo, M., & Cirac, J. I. (2025) · PRX Quantum · doi:10.1103/prxquantum.6.010355 · Cited by 6 · see citing works
Graves, V., Sünderhauf, C., Blunt, N. S., Izsák, R., & Szöri, M. (2025) · ACS Physical Chemistry Au · doi:10.1021/acsphyschemau.5c00030 · Cited by 6 · see citing works
TE-PAI: exact time evolution by sampling random circuits
Kiumi, C., & Koczor, B. (2025) · Quantum Science and Technology · doi:10.1088/2058-9565/ae1160 · Cited by 6 · see citing works
Adaptive basis sets for practical quantum computing
Kwon, H., Curtin, G. M., Morrow, Z., Kelley, C. T., & Jakubı́ková, E. (2023) · International Journal of Quantum Chemistry · doi:10.1002/qua.27123 · Cited by 6 · see citing works
Quantum Simulation of the First-Quantized Pauli-Fierz Hamiltonian
Mukhopadhyay, P., Stetina, T. F., & Wiebe, N. (2024) · PRX Quantum · doi:10.1103/prxquantum.5.010345 · Cited by 6 · see citing works
Self-citationQuantum topological data analysis via the estimation of the density of states
Scali, S., Umeano, C., & Kyriienko, O. (2024) · Physical Review A · doi:10.1103/physreva.110.042616 · Cited by 6 · see citing works
Molecular Properties from Quantum Krylov Subspace Diagonalization
Oumarou, O., Ollitrault, P. J., Cortes, C. L., Scheurer, M., Parrish, R. M., & Gogolin, C. (2025) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5c00194 · Cited by 5 · see citing works
Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics
Fang, D., & Vilanova, A. T. (2023) · SIAM Journal on Numerical Analysis · doi:10.1137/21m1462349 · Cited by 5 · see citing works
Quantum simulation of time-dependent Hamiltonians via commutator-free quasi-Magnus operators
Casares, P. A. M., Zini, M. S., & Arrazola, J. M. (2024) · Quantum · doi:10.22331/q-2024-12-17-1567 · Cited by 5 · see citing works
Learning a Quantum Computer's Capability
Hothem, D., Young, K. C., Catanach, T., & Proctor, T. J. (2024) · IEEE Transactions on Quantum Engineering · doi:10.1109/tqe.2024.3430215 · Cited by 5 · see citing works
Quantum simulation of carbon capture in periodic metal–organic frameworks
Rocca, D., Gonthier, J. F., Levin, J., Schäfer, T., Grüneis, A., Lee, H. W., & Kang, B. (2026) · Digital Discovery · doi:10.1039/d6dd00023a · Cited by 4 · see citing works
Fragment-based initialization for quantum subspace methods
D’Cunha, R., Cortes, C. L., Gagliardi, L., & Gray, S. K. (2024) · Physical Review A · doi:10.1103/physreva.110.042613 · Cited by 4 · see citing works
Low-Depth Quantum Symmetrization
Liu, Z., Childs, A. M., & Gottesman, D. (2026) · Physical Review X · doi:10.1103/9qhy-ms2y · Cited by 4 · see citing works
Jensen, P. W. K., Johnson, P. D., & Kunitsa, A. A. (2023) · Physical Review A · doi:10.1103/physreva.108.022422 · Cited by 4 · see citing works
Tailoring Fault-Tolerance to Quantum Algorithms
Chen, Z., & Rengaswamy, N. (2025) · IEEE Journal on Selected Areas in Information Theory · doi:10.1109/jsait.2025.3602446 · Cited by 4 · see citing works
Some error analysis for the quantum phase estimation algorithms
Li, X. (2022) · Journal of Physics A Mathematical and Theoretical · doi:10.1088/1751-8121/ac7f6c · Cited by 4 · see citing works
Quantum state preparation via piecewise QSVT
O'Brien, O., & Sünderhauf, C. (2025) · Quantum · doi:10.22331/q-2025-07-03-1786 · Cited by 3 · see citing works
Bidart, A., Vaish, P., Kabengele, T., Pang, Y., Liu, Y., & Rubenstein, B. M. (2026) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-082624-084635 · Cited by 3 · see citing works
Framework for Robust Quantum Speedups in Practical Correlated Electronic Structure and Dynamics
Anonymous, & Chan, G. K. (2026) · Physical Review Letters · doi:10.1103/v2ms-wmz1 · Cited by 3 · see citing works
Tkachenko, N. V., Ren, H., Billings, W. M., Tomann, R., Whaley, K. B., & Head‐Gordon, M. (2025) · Chemical Science · doi:10.1039/d5sc03585f · Cited by 3 · see citing works
Sze, M. W., Tang, Y., Dilkes, S., Ramo, D. M., Duncan, R., & Fitzpatrick, N. (2025) · Quantum Science and Technology · doi:10.1088/2058-9565/ae2292 · Cited by 3 · see citing works
Fullqubit alchemist: quantum algorithm for alchemical free energy calculations
Huang, P., Boyd, G., Anselmetti, G.-L., Degroote, M., Moll, N., Santagati, R., Streif, M., Ries, B., Marti-Dafcik, D., Jnane, H., et al. (2026) · npj Quantum Information · doi:10.1038/s41534-026-01275-2 · Cited by 3 · see citing works
Self-citationDiscrete Superconvergence Analysis for Quantum Magnus Algorithms of Unbounded Hamiltonian Simulation
Borns-Weil, Y., Fang, D., & Zhang, J. (2026) · Communications in Mathematical Physics · doi:10.1007/s00220-025-05531-y · Cited by 3 · see citing works
Dynamical implementation of canonical second quantization on a quantum computer
Gálvez-Viruet, J. J., & Llanes–Estrada, F. J. (2024) · Physical review. D/Physical review. D. · doi:10.1103/physrevd.110.116018 · Cited by 3 · see citing works
Optimizing quantum chemistry simulations with a hybrid quantization scheme
Ku, C., Chen, Y., Hu, A., & Hsieh, M.-H. (2026) · Communications Physics · doi:10.1038/s42005-026-02577-9 · Cited by 2 · see citing works
Quantum Simulation of Electronic Structure via Quantum Fast Multipole Method
Berry, D. W., Wan, K., Baczewski, A., Eklund, E. C., Tikku, A., & Babbush, R. (2026) · PRX Quantum · doi:10.1103/b2vn-zf6c · Cited by 2 · see citing works
Self-citationConstruction of Antisymmetric Variational Quantum States with Real Space Representation
Horiba, T., Shirai, S., & Hirai, H. (2024) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.4c00167 · Cited by 2 · see citing works
Modal Analysis on Quantum Computers via Qubitization
Lee, Y., & Kanno, K. (2025) · IEEE International Conference on Quantum Computing and Engineering (QCE) · doi:10.1109/qce65121.2025.00237 · Cited by 2 · see citing works
Christopoulou, G., Paola, C. D., Elzinga, F., Jallat, A., Ramo, D. M., & Krompiec, M. (2024) · Physical Chemistry Chemical Physics · doi:10.1039/d3cp05167f · Cited by 2 · see citing works
Quantum Simulation of Nuclear Dynamics in First Quantization
Spagnoli, L., Lissoni, C., & Roggero, A. (2026) · Quantum · doi:10.22331/q-2026-09-02-2200 · Cited by 2 · see citing works
- Authors
- Su, Y., Berry, D. W., Wiebe, N., Rubin, N., & Babbush, R.
- Affiliations
- California Institute of Technology (US)
- Macquarie University (AU)
- Google (United States) (US)
- Venue
- PRX Quantum
- Publisher
- American Physical Society (APS)
- Published
- 2021-11-11
- Volume
- 2
- Issue
- 4
- ISSN
- 2691-3399 (ISSN-L)
- OpenAlex
- W3165437982
- Cited by
- 123
- References
- 116
- Citations by year
- 2026: 28 · 2025: 29 · 2024: 22 · 2023: 20 · 2022: 19 · 2021: 4 · 2020: 1
- FWCI
- 5.74
- Type
- journal article
- Language
- en
- Update notices
- correction (2022-09-21)
- Open access
- gold
- doi.org
- Licence
- Locations
- PRX Quantum (publishedVersion, cc-by)
- arXiv (Cornell University) (submittedVersion)
- CaltechAUTHORS (California Institute of Technology) (submittedVersion, cc-by)
- 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) (cc-by)
- Funders
- Australian Research Council (DP190102633, DP210101367)
- US Department of Energy
- Office of Science (DE-SC0012704)
- National Science Foundation (1839204)
- Quantum Information (PHY-1733907)
- 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
- first quantization, fault tolerance, quantum algorithms, cost analysis, solid-state materials, chemical compounds, quantum chemistry
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
