- Open Access
Correcting and Extending Trotterized Quantum Many-Body Dynamics
PRX Quantum 6, 030361 – Published 24 September, 2025
DOI: https://doi.org/10.1103/1nqt-x5xh
Abstract
A complex but important challenge in understanding quantum mechanical phenomena is the simulation of quantum many-body dynamics. Although quantum computers offer significant potential to accelerate these simulations, their practical application is currently limited by noise and restricted scalability. In this work, we address these problems by introducing a hybrid ansatz combining the strengths of quantum and classical computational methods. Using Trotterization, we propose to evolve an initial state on the quantum computer according to a simplified Hamiltonian, focusing on terms that are difficult to simulate classically. A classical model then corrects the simulation by including the terms omitted in the quantum circuit. While the classical ansatz is optimized during the time evolution, the quantum circuit has no variational parameters. Derivatives can thus be calculated purely classically, avoiding challenges arising in the optimization of parametrized quantum circuits. We demonstrate three applications of this hybrid method. First, our approach allows us to avoid swap gates in the quantum circuit by restricting the quantum part of the ansatz to hardware-efficient terms of the Hamiltonian. Second, we can mitigate errors arising from the Trotterization of the time-evolution unitary. Finally, we can extend the system size while keeping the number of qubits in the quantum circuit constant by including additional degrees of freedom in the classical ansatz.
Physics Subject Headings (PhySH)
Popular Summary
Predicting how quantum systems evolve in time is key to obtaining a profound understanding of the nature of physical phenomena at the microscopic scale. As solving this problem analytically is improbable, scientists rely on computational methods to perform simulations. While these methods are becoming increasingly efficient and classical computers more powerful, the laws of quantum mechanics ultimately challenge classical algorithms in simulating arbitrary quantum systems once they reach a certain scale. In this context, quantum computers can, in theory, provide an advantage. In practice, however, near-term quantum devices are still very prone to errors, which imposes strong constraints on the algorithms they can run.
In this work, we aim to simplify the quantum algorithm simulating the time evolution of complex quantum systems such that it becomes feasible to obtain interesting results even on noisy hardware. To that end, we outsource part of the calculation to a classical model, so that only the part of the system that is difficult to simulate classically but natural for the quantum computer has to be implemented on the latter. We then generate data from the simplified quantum algorithm to train the classical model, which subsequently extends the computation to simulate the entire system.
The framework presented in our work provides a general method of combining quantum and classical resources for the simulation of quantum time evolution. The formulation allows for a wide range of classical models to be employed to correct for diverse simplifications made to the quantum algorithm.
Article Text
References (91)
- J. Zhang, G. Pagano, P. W. Hess, A. Kyprianidis, P. Becker, H. Kaplan, A. V. Gorshkov, Z. X. Gong, and C. Monroe, Observation of a many-body dynamical phase transition with a 53-qubit quantum simulator, Nature 551, 601 (2017).
- J. Dborin, V. Wimalaweera, F. Barratt, E. Ostby, T. E. O’Brien, and A. G. Green, Simulating groundstate and dynamical quantum phase transitions on a superconducting quantum computer, Nat. Commun. 13, 5977 (2022).
- S. Ebadi, T. T. Wang, H. Levine, A. Keesling, G. Semeghini, A. Omran, D. Bluvstein, R. Samajdar, H. Pichler, W. W. Ho, S. Choi, S. Sachdev, M. Greiner, V. Vuletić, and M. D. Lukin, Quantum phases of matter on a 256-atom programmable quantum simulator, Nature 595, 227 (2021).
- E. Altman, Many-body localization and quantum thermalization, Nat. Phys. 14, 979 (2018).
- W. A. de Jong, K. Lee, J. Mulligan, M. Płoskoń, F. Ringer, and X. Yao, Quantum simulation of nonequilibrium dynamics and thermalization in the Schwinger model, Phys. Rev. D 106, 054508 (2022).
- Y. Kim, A. Eddins, S. Anand, K. X. Wei, E. van den Berg, S. Rosenblatt, H. Nayfeh, Y. Wu, M. Zaletel, K. Temme, and A. Kandala, Evidence for the utility of quantum computing before fault tolerance, Nature 618, 500 (2023).
- G. Vidal, Efficient classical simulation of slightly entangled quantum computations, Phys. Rev. Lett. 91, 147902 (2003).
- J. Eisert, M. Friesdorf, and C. Gogolin, Quantum many-body systems out of equilibrium, Nat. Phys. 11, 124 (2015).
- D. Bauernfeind and M. Aichhorn, Time dependent variational principle for tree tensor networks, SciPost Phys. 8, 024 (2020).
- A. Sinibaldi, C. Giuliani, G. Carleo, and F. Vicentini, Unbiasing time-dependent variational Monte Carlo by projected quantum evolution, Quantum 7, 1131 (2023).
- J. Nys, Z. Denis, and G. Carleo, Real-time quantum dynamics of thermal states with neural thermofields, Phys. Rev. B 109, 235120 (2024).
- L. Mauron, Z. Denis, J. Nys, and G. Carleo, Predicting topological entanglement entropy in a Rydberg analogue simulator, Nat. Phys. 21, 1332 (2025).
- A. Sinibaldi, D. Hendry, F. Vicentini, and G. Carleo, Time-dependent neural Galerkin method for quantum dynamics, ArXiv:2412.11778.
- L. Mauron and G. Carleo, Challenging the quantum advantage frontier with large-scale classical simulations of annealing dynamics, ArXiv:2503.08247.
- R. P. Feynman, Simulating physics with computers, Int. J. Theor. Phys. 21, 467 (1982).
- A. Kandala, A. Mezzacapo, K. Temme, M. Takita, M. Brink, J. M. Chow, and J. M. Gambetta, Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets, Nature 549, 242 (2017).
- A. Chiesa, F. Tacchino, M. Grossi, P. Santini, I. Tavernelli, D. Gerace, and S. Carretta, Quantum hardware simulating four-dimensional inelastic neutron scattering, Nat. Phys. 15, 455 (2019).
- F. Arute, et al., Hartree-Fock on a superconducting qubit quantum computer, Science 369, 1084 (2020).
- F. Arute, et al., Observation of separated dynamics of charge and spin in the Fermi-Hubbard model, ArXiv:2010.07965.
- C. Neill, et al., Accurately computing the electronic properties of a quantum ring, Nature 594, 508 (2021).
- J. Preskill, Quantum computing in the NISQ era and beyond, Quantum 2, 79 (2018).
- A. M. Childs, D. Maslov, Y. Nam, N. J. Ross, and Y. Su, Toward the first quantum simulation with quantum speedup, Proc. Natl. Acad. Sci. 115, 9456 (2018).
- R. Babbush, C. Gidney, D. W. Berry, N. Wiebe, J. McClean, A. Paler, A. Fowler, and H. Neven, Encoding electronic spectra in quantum circuits with linear T complexity, Phys. Rev. X 8, 041015 (2018).
- Y. Nam and D. Maslov, Low-cost quantum circuits for classically intractable instances of the Hamiltonian dynamics simulation problem, npj Quantum Inf. 5, 44 (2019).
- M. Motta, E. Ye, J. R. McClean, Z. Li, A. J. Minnich, R. Babbush, and G. K.-L. Chan, Low rank representations for quantum simulation of electronic structure, npj Quantum Inf. 7, 83 (2021).
- N. Hatano and M. Suzuki, in Quantum Annealing and Other Optimization Methods (Springer-Verlag, Berlin, 2005), p. 37.
- D. W. Berry, G. Ahokas, R. Cleve, and B. C. Sanders, Efficient quantum algorithms for simulating sparse Hamiltonians, Commun. Math. Phys. 270, 359 (2006).
- K. Bharti, A. Cervera-Lierta, T. H. Kyaw, T. Haug, S. Alperin-Lea, A. Anand, M. Degroote, H. Heimonen, J. S. Kottmann, T. Menke, W.-K. Mok, S. Sim, L.-C. Kwek, and A. Aspuru-Guzik, Noisy intermediate-scale quantum algorithms, Rev. Mod. Phys. 94, 015004 (2022).
- X. Yuan, S. Endo, Q. Zhao, Y. Li, and S. C. Benjamin, Theory of variational quantum simulation, Quantum 3, 191 (2019).
- M. Benedetti, M. Fiorentini, and M. Lubasch, Hardware-efficient variational quantum algorithms for time evolution, Phys. Rev. Res. 3, 033083 (2021).
- F. Zhang, C.-Z. Wang, T. Iadecola, P. P. Orth, and Y.-X. Yao, Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements, Phys. Rev. B 111, 094310 (2025).
- J. Gacon, C. Zoufal, G. Carleo, and S. Woerner, Simultaneous perturbation stochastic approximation of the quantum Fisher information, Quantum 5, 567 (2021).
- S. Barison, F. Vicentini, and G. Carleo, An efficient quantum algorithm for the time evolution of parameterized circuits, Quantum 5, 512 (2021).
- D. Linteau, S. Barison, N. H. Lindner, and G. Carleo, Adaptive projected variational quantum dynamics, Phys. Rev. Res. 6, 023130 (2024).
- G. Gentinetta, F. Metz, and G. Carleo, Overhead-constrained circuit knitting for variational quantum dynamics, Quantum 8, 1296 (2024).
- J. Gacon, J. Nys, R. Rossi, S. Woerner, and G. Carleo, Variational quantum time evolution without the quantum geometric tensor, Phys. Rev. Res. 6, 013143 (2024).
- J. S. Gacon, Ph.D. thesis, École polytechnique fédérale de Lausanne (EPFL), 2024, https://doi.org/10.5075/EPFL-THESIS-11132.
- P. A. M. Dirac, Note on exchange phenomena in the Thomas atom, Math. Proc. Camb. Philos. Soc. 26, 376 (1930).
- J. Frenkel, Wave Mechanics: Advanced General Theory (Oxford University Press, London, 1934).
- A. McLachlan, A variational solution of the time-dependent Schrodinger equation, Mol. Phys. 8, 39 (1964).
- Y. Li and S. C. Benjamin, Efficient variational quantum simulator incorporating active error minimization, Phys. Rev. X 7, 021050 (2017).
- K. Mitarai, M. Negoro, M. Kitagawa, and K. Fujii, Quantum circuit learning, Phys. Rev. A 98, 32309 (2018).
- M. Schuld, V. Bergholm, C. Gogolin, J. Izaac, and N. Killoran, Evaluating analytic gradients on quantum hardware, Phys. Rev. A 99, 032331 (2019).
- A. Abbas, R. King, H.-Y. Huang, W. J. Huggins, R. Movassagh, D. Gilboa, and J. McClean, On quantum backpropagation, information reuse, and cheating measurement collapse, in Advances in Neural Information Processing Systems, edited by A. Oh, T. Naumann, A. Globerson, K. Saenko, M. Hardt, and S. Levine (Curran Associates, Inc., 2023), Vol. 36, pp. 44792–44819, https://proceedings.neurips.cc/paper_files/paper/2023/file/8c3caae2f725c8e2a55ecd600563d172-Paper-Conference.pdf.
- C. Cîrstoiu, Z. Holmes, J. Iosue, L. Cincio, P. J. Coles, and A. Sornborger, Variational fast forwarding for quantum simulation beyond the coherence time, npj Quantum Inf. 6, 82 (2020).
- B. Commeau, M. Cerezo, Z. Holmes, L. Cincio, P. J. Coles, and A. Sornborger, Variational Hamiltonian diagonalization for dynamical quantum simulation, ArXiv:2009.02559.
- C. L. Cortes, A. E. DePrince, and S. K. Gray, Fast-forwarding quantum simulation with real-time quantum Krylov subspace algorithms, Phys. Rev. A 106, 042409 (2022).
- K. Heya, K. M. Nakanishi, K. Mitarai, Z. Yan, K. Zuo, Y. Suzuki, T. Sugiyama, S. Tamate, Y. Tabuchi, K. Fujii, and Y. Nakamura, Subspace variational quantum simulator, Phys. Rev. Res. 5, 023078 (2023).
- H. Zhao, M. Bukov, M. Heyl, and R. Moessner, Making Trotterization adaptive and energy-self-correcting for NISQ devices and beyond, PRX Quantum 4, 030319 (2023).
- H. Zhao, M. Bukov, M. Heyl, and R. Moessner, Adaptive Trotterization for time-dependent Hamiltonian quantum dynamics using piecewise conservation laws, Phys. Rev. Lett. 133, 010603 (2024).
- S. Bravyi, G. Smith, and J. A. Smolin, Trading classical and quantum computational resources, Phys. Rev. X 6, 021043 (2016).
- T. Peng, A. W. Harrow, M. Ozols, and X. Wu, Simulating large quantum circuits on a small quantum computer, Phys. Rev. Lett. 125, 150504 (2020).
- K. Mitarai and K. Fujii, Constructing a virtual two-qubit gate by sampling single-qubit operations, New J. Phys. 23, 023021 (2021).
- K. Mitarai and K. Fujii, Overhead for simulating a non-local channel with local channels by quasiprobability sampling, Quantum 5, 388 (2021).
- C. Piveteau and D. Sutter, Circuit knitting with classical communication, IEEE Trans. Inf. Theory 70, 2734 (2023).
- Z. Fan and Q.-L. Jie, Cluster density matrix embedding theory for quantum spin systems, Phys. Rev. B 91, 195118 (2015).
- K. Gunst, S. Wouters, S. De Baerdemacker, and D. Van Neck, Block product density matrix embedding theory for strongly correlated spin systems, Phys. Rev. B 95, 195127 (2017).
- T. Yamazaki, S. Matsuura, A. Narimani, A. Saidmuradov, and A. Zaribafiyan, Towards the practical application of near-term quantum computers in quantum chemistry simulations: A problem decomposition approach, ArXiv:1806.01305.
- M. Rossmannek, P. K. Barkoutsos, P. J. Ollitrault, and I. Tavernelli, Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems, J. Chem. Phys. 154, 114105 (2021).
- A. Eddins, M. Motta, T. P. Gujarati, S. Bravyi, A. Mezzacapo, C. Hadfield, and S. Sheldon, Doubling the size of quantum simulators by entanglement forging, PRX Quantum 3, 010309 (2022).
- P. Huembeli, G. Carleo, and A. Mezzacapo, Entanglement forging with generative neural network models, ArXiv:2205.00933.
- P. de Schoulepnikoff, O. Kiss, S. Vallecorsa, G. Carleo, and M. Grossi, Hybrid ground-state quantum algorithms based on neural Schrödinger forging, Phys. Rev. Res. 6, 023021 (2024).
- S. Barison, F. Vicentini, and G. Carleo, Embedding classical variational methods in quantum circuits, ArXiv:2309.08666.
- X. Yuan, J. Sun, J. Liu, Q. Zhao, and Y. Zhou, Quantum simulation with hybrid tensor networks, Phys. Rev. Lett. 127, 040501 (2021).
- J. Sun, S. Endo, H. Lin, P. Hayden, V. Vedral, and X. Yuan, Perturbative quantum simulation, Phys. Rev. Lett. 129, 120505 (2022).
- J. Schuhmacher, M. Ballarin, A. Baiardi, G. Magnifico, F. Tacchino, S. Montangero, and I. Tavernelli, Hybrid tree tensor networks for quantum simulation, PRX Quantum 6, 010320 (2025).
- A. McClain Gomez, T. L. Patti, A. Anandkumar, and S. F. Yelin, Near-term distributed quantum computation using mean-field corrections and auxiliary qubits, Quantum Sci. Technol. 9, 035022 (2024).
- S.-X. Zhang, Z.-Q. Wan, C.-K. Lee, C.-Y. Hsieh, S. Zhang, and H. Yao, Variational quantum-neural hybrid eigensolver, Phys. Rev. Lett. 128, 120502 (2022).
- W. Dobrautz, I. O. Sokolov, K. Liao, P. L. Ríos, M. Rahm, A. Alavi, and I. Tavernelli, Toward real chemical accuracy on current quantum hardware through the transcorrelated method, J. Chem. Theory Comput. 20, 4146 (2024).
- F. Metz, G. Pescia, and G. Carleo, Simulating continuous-space systems with quantum-classical wave functions, ArXiv:2409.06415.
- R. Jastrow, Many-body problem with strong forces, Phys. Rev. 98, 1479 (1955).
- The simulation is performed using shot noise. However, to compute the fidelities, we use the full state vectors.
- J. Gambetta, Expanding the IBM quantum roadmap to anticipate the future of quantum-centric supercomputing (2022), https://research.ibm.com/blog/ibm-quantum-roadmap-2025.
- R. Acharya, et al., Quantum error correction below the surface code threshold, Nature 638, 920 (2024).
- F. Vicentini, D. Hofmann, A. Szabó, D. Wu, C. Roth, C. Giuliani, G. Pescia, J. Nys, V. Vargas-Calderón, N. Astrakhantsev, and G. Carleo, NetKet 3: Machine learning toolbox for many-body quantum systems, SciPost Phys. Codebases 7 (2022).
- M. A. Nielsen and I. L. Chuang, Quantum Computation and Quantum Information: 10th Anniversary Edition (Cambridge University Press, Cambridge, 2010).
- D. Hofmann, G. Fabiani, J. H. Mentink, G. Carleo, and M. A. Sentef, Role of stochastic noise and generalization error in the time propagation of neural-network quantum states, SciPost Phys. 12, 165 (2022).
- J.-G. Liu, Y.-H. Zhang, Y. Wan, and L. Wang, Variational quantum eigensolver with fewer qubits, Phys. Rev. Res. 1, 023025 (2019).
- S. McArdle, S. Endo, A. Aspuru-Guzik, S. C. Benjamin, and X. Yuan, Quantum computational chemistry, Rev. Mod. Phys. 92, 015003 (2020).
- G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Electronic structure calculations with dynamical mean-field theory, Rev. Mod. Phys. 78, 865 (2006).
- Q. Sun and G. K.-L. Chan, Quantum embedding theories, Acc. Chem. Res. 49, 2705 (2016).
- U. Schollwöck, The density-matrix renormalization group in the age of matrix product states, Ann. Phys. 326, 96 (2011),January 2011 Special Issue.
- G. Carleo and M. Troyer, Solving the quantum many-body problem with artificial neural networks, Science 355, 602 (2017).
- R. Mansuroglu, F. Fischer, and M. J. Hartmann, Problem-specific classical optimization of Hamiltonian simulation, Phys. Rev. Res. 5, 043035 (2023).
- C. Mc Keever and M. Lubasch, Classically optimized Hamiltonian simulation, Phys. Rev. Res. 5, 023146 (2023).
- I. N. M. Le, S. Sun, and C. B. Mendl, Riemannian quantum circuit optimization based on matrix product operators, Quantum 9, 1833 (2025).
- G. H. Low and I. L. Chuang, Hamiltonian simulation by qubitization, Quantum 3, 163 (2019).
- G. Gentinetta, F. Metz, and G. Carleo, Code for “Correcting and extending Trotterized quantum many-body dynamics” (2025), https://github.com/gentinettagian/CQD.
- J. Bradbury, R. Frostig, P. Hawkins, M. J. Johnson, C. Leary, D. Maclaurin, and S. Wanderman-Milne, jax: Composable transformations of python+NumPy programs, 2018, http://github.com/jax-ml/jax
- J. Heek, A. Levskaya, A. Oliver, M. Ritter, B. Rondepierre, A. Steiner, and M. van Zee, flax: A neural network library and ecosystem for jax, 2024, http://github.com/google/flax
- V. Bergholm, et al., pennylane: Automatic differentiation of hybrid quantum-classical computations, ArXiv:1811.04968.
