Reuse & Permissions

It is not necessary to obtain permission to reuse this article or its components as it is available under the terms of the Creative Commons Attribution 4.0 International license. This license permits unrestricted use, distribution, and reproduction in any medium, provided attribution to the author(s) and the published article's title, journal citation, and DOI are maintained. Please note that some figures may have been included with permission from other third parties. It is your responsibility to obtain the proper permission from the rights holder directly for these figures.

Export citation

Export citation

Choose format for download:

Download Citation
  • Open Access

Towards Robust Variational Quantum Simulation of Lindblad Dynamics via Stochastic Magnus Expansion

Jia-Cheng Huang1,*, Hao-En Li1,2,*, Yi-Cheng Wang1, Guang-Ze Zhang1, Jun Li1,3,4, and Han-Shi Hu1,†

  • *These authors contributed equally to this work.
  • †Contact author: hshu@mail.tsinghua.edu.cn

PRX Quantum 6, 040312 – Published 17 October, 2025

DOI: https://doi.org/10.1103/yyln-q22s

Abstract

Dedicated to the centenary of quantum mechanics. In this paper, we introduce a novel and general framework for the variational quantum simulation of Lindblad equations. Building on the close relationship between the unraveled Lindblad dynamics, stochastic Magnus integrators, and variational quantum simulation, we propose a high-order scheme for solving the quantum state diffusion equation using exponential integrators. This formulation facilitates the simulation of wavefunction trajectories within the established framework of variational quantum algorithms for time evolution. Our algorithm significantly enhances robustness in two key aspects: the stability of the simulation with large time steps, and the reduction in the number of quantum trajectories required to accurately simulate the Lindblad dynamics in terms of the ensemble average. We demonstrate the effectiveness of our algorithm through numerical examples in both classical and quantum implementations, including the transverse-field Ising model (TFIM) with damping, the Fenna-Matthews-Olson (FMO) complex, and the radical pair model (RPM). The simulation accuracy can be systematically improved, and the algorithm remains reliable even in highly oscillatory regimes. These methods are expected to be applicable to a broader class of open quantum systems beyond the specific models considered in this study.

View figure in article

Physics Subject Headings (PhySH)

Popular Summary

Article Text

References (76)

  1. G. Lindblad, On the generators of quantum dynamical semigroups, Commun. Math. Phys. 48, 119 (1976).
  2. V. Gorini, A. Kossakowski, and E. C. G. Sudarshan, Completely positive dynamical semigroups of n-level systems, J. Math. Phys. 17, 821 (1976).
  3. E. B. Davies, Markovian master equations, Commun. Math. Phys. 39, 91 (1974).
  4. B. Palmieri, D. Abramavicius, and S. Mukamel, Lindblad equations for strongly coupled populations and coherences in photosynthetic complexes, J. Chem. Phys. 130, 204512 (2009).
  5. U. Harbola, M. Esposito, and S. Mukamel, Quantum master equation for electron transport through quantum dots and single molecules, Phys. Rev. B 74, 235309 (2006).
  6. V. S. Poonia, K. Kondabagil, D. Saha, and S. Ganguly, Functional window of the avian compass, Phys. Rev. E 95, 052417 (2017).
  7. B. Adams, I. Sinayskiy, and F. Petruccione, An open quantum system approach to the radical pair mechanism, Sci. Rep. 8, 15719 (2018).
  8. F. Mascherpa, A. Smirne, S. F. Huelga, and M. B. Plenio, Open systems with error bounds: Spin-boson model with spectral density variations, Phys. Rev. Lett. 118, 100401 (2017).
  9. D. Tamascelli, A. Smirne, S. F. Huelga, and M. B. Plenio, Nonperturbative treatment of non-Markovian dynamics of open quantum systems, Phys. Rev. Lett. 120, 030402 (2018).
  10. B. M. Terhal, Quantum error correction for quantum memories, Rev. Mod. Phys. 87, 307 (2015).
  11. D. Layden, S. Zhou, P. Cappellaro, and L. Jiang, Ancilla-free quantum error correction codes for quantum metrology, Phys. Rev. Lett. 122, 040502 (2019).
  12. C.-F. Chen, M. J. Kastoryano, and A. Gilyén, An efficient and exact noncommutative quantum Gibbs sampler, ArXiv:2311.09207.
  13. C.-F. Chen, M. J. Kastoryano, F. G. Brandão, and A. Gilyén, Quantum thermal state preparation, ArXiv:2303.18224.
  14. Z. Ding, C.-F. Chen, and L. Lin, Single-ancilla ground state preparation via Lindbladians, Phys. Rev. Res. 6, 033147 (2024).
  15. H.-E. Li, Y. Zhan, and L. Lin, Dissipative ground state preparation in ab initio electronic structure theory, ArXiv:2411.01470.
  16. H.-P. Breuer, and F. Petruccione, The Theory of Open Quantum Systems (Oxford University Press, New York, 2002).
  17. R. Biele, and R. D’Agosta, A stochastic approach to open quantum systems, J. Phys.: Condens. Matter 24, 273201 (2012).
  18. Y. Cao, and J. Lu, Structure-preserving numerical schemes for Lindblad equations, ArXiv:2103.01194.
  19. H. Chen, B. Li, J. Lu, and L. Ying, A randomized method for simulating Lindblad equations and thermal state preparation, ArXiv:2407.06594.
  20. A. M. Childs, and T. Li, Efficient simulation of sparse Markovian quantum dynamics, Quantum Inf. Comput. 17, 0901 (2017).
  21. R. Cleve, and C. Wang, in Proceedings of the 44th International Colloquium on Automata, Languages, and Programming (ICALP 2017) (Schloss Dagstuhl – Leibniz-Zentrum für Informatik, Warsaw, 2017), p. 17:1, ArXiv:1612.09512.
  22. X. Li, and C. Wang, in International Conference on Machine Learning (PMLR, Honolulu, Hawaii, 2023), p. 19982, ArXiv:2304.02613.
  23. Z. Ding, X. Li, and L. Lin, Simulating open quantum systems using Hamiltonian simulations, PRX Quantum 5, 020332 (2024).
  24. D. W. Berry, G. Ahokas, R. Cleve, and B. C. Sanders, Efficient quantum algorithms for simulating sparse Hamiltonians, Commun. Math. Phys. 270, 359 (2007).
  25. G. H. Low, and I. L. Chuang, Hamiltonian simulation by qubitization, Quantum 3, 163 (2019).
  26. L. H. Delgado-Granados, T. J. Krogmeier, L. M. Sager-Smith, I. Avdic, Z. Hu, M. Sajjan, M. Abbasi, S. E. Smart, P. Narang, S. Kais et al., Quantum algorithms and applications for open quantum systems, Chem. Rev. 125, 1823 (2025).
  27. A. W. Schlimgen, K. Head-Marsden, L. M. Sager, P. Narang, and D. A. Mazziotti, Quantum simulation of open quantum systems using a unitary decomposition of operators, Phys. Rev. Lett. 127, 270503 (2021).
  28. A. W. Schlimgen, K. Head-Marsden, L. M. Sager, P. Narang, and D. A. Mazziotti, Quantum simulation of the Lindblad equation using a unitary decomposition of operators, Phys. Rev. Res. 4, 023216 (2022).
  29. Z. Hu, R. Xia, and S. Kais, A quantum algorithm for evolving open quantum dynamics on quantum computing devices, Sci. Rep. 10, 3301 (2020).
  30. Z. Hu, K. Head-Marsden, D. A. Mazziotti, P. Narang, and S. Kais, A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex, Quantum 6, 726 (2022).
  31. Y. Zhang, Z. Hu, Y. Wang, and S. Kais, Quantum simulation of the radical pair dynamics of the avian compass, J. Phys. Chem. Lett. 14, 832 (2023).
  32. C. T. Hann, G. Lee, S. Girvin, and L. Jiang, Resilience of quantum random access memory to generic noise, PRX Quantum 2, 020311 (2021).
  33. J. Peetz, S. E. Smart, S. Tserkis, and P. Narang, Simulation of open quantum systems via low-depth convex unitary evolutions, Phys. Rev. Res. 6, 023263 (2024).
  34. H. Kamakari, S.-N. Sun, M. Motta, and A. J. Minnich, Digital quantum simulation of open quantum systems using quantum imaginary–time evolution, PRX Quantum 3, 010320 (2022).
  35. A. W. Schlimgen, K. Head-Marsden, L. M. Sager-Smith, P. Narang, and D. A. Mazziotti, Quantum state preparation and nonunitary evolution with diagonal operators, Phys. Rev. A 106, 022414 (2022).
  36. E. K. Oh, T. J. Krogmeier, A. W. Schlimgen, and K. Head-Marsden, Singular value decomposition quantum algorithm for quantum biology, ACS Phys. Chem. Au 4, 393 (2024).
  37. H. Chen, N. Gomes, S. Niu, and W. A. d. Jong, Adaptive variational simulation for open quantum systems, Quantum 8, 1252 (2024).
  38. J. Luo, K. Lin, and X. Gao, Variational quantum simulation of Lindblad dynamics via quantum state diffusion, J. Phys. Chem. Lett. 15, 3516 (2024).
  39. Z. Lan, and W. Liang, Integrating self-initialized local thermalizing Lindblad operators for variational quantum algorithm with quantum jump: Implementation and performance, J. Chem. Theory Comput. 20, 10317 (2024).
  40. N. Gisin, and I. C. Percival, The quantum-state diffusion model applied to open systems, J. Phys. A: Math. Theor. 25, 5677 (1992).
  41. I. Percival, Quantum State Diffusion (Cambridge University Press, Cambridge, 1998).
  42. D. A. Lidar, Lecture notes on the theory of open quantum systems, ArXiv:1902.00967.
  43. H. J. Carmichael, Quantum trajectory theory for cascaded open systems, Phys. Rev. Lett. 70, 2273 (1993).
  44. J. Li, and X. Li, Exponential integrators for stochastic Schrödinger equations, Phys. Rev. E 101, 013312 (2020).
  45. C. Le Bris, P. Rouchon, and J. Roussel, Adaptive low-rank approximation and denoised Monte Carlo approach for high-dimensional Lindblad equations, Phys. Rev. A 92, 062126 (2015).
  46. D. T. Gillespie, The mathematics of Brownian motion and Johnson noise, Am. J. Phys. 64, 225 (1996).
  47. P. E. Kloeden, and E. Platen, Numerical Solution of Stochastic Differential Equations (Springer Science & Business Media, Berlin, 2013).
  48. P. M. Burrage, Runge-Kutta methods for stochastic differential equations, Ph.D. thesis, school The University of Queensland, 1999, https://espace.library.uq.edu.au/view/UQ:157833.
  49. K. Burrage, and P. Burrage, High strong order methods for non-commutative stochastic ordinary differential equation systems and the Magnus formula, Phys. D: Nonlinear Phenom. 133, 34 (1999).
  50. K. Burrage, P. Burrage, D. J. Higham, P. E. Kloeden, and E. Platen, Comment on “numerical methods for stochastic differential equations”, Phys. Rev. E 74, 068701 (2006).
  51. G. Lord, S. J. A. Malham, and A. Wiese, Efficient strong integrators for linear stochastic systems, ArXiv:0708.2850.
  52. S. McArdle, T. Jones, S. Endo, Y. Li, S. C. Benjamin, and X. Yuan, Variational ansatz-based quantum simulation of imaginary time evolution, Npj Quantum Inf. 5, 75 (2019).
  53. X. Yuan, S. Endo, Q. Zhao, Y. Li, and S. C. Benjamin, Theory of variational quantum simulation, Quantum 3, 191 (2019).
  54. 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).
  55. H.-E. Li, X. Li, J.-C. Huang, G.-Z. Zhang, Z.-P. Shen, C. Zhao, J. Li, and H.-S. Hu, Variational quantum imaginary time evolution for matrix product state ansatz with tests on transcorrelated Hamiltonians, J. Chem. Phys. 161, 144104 (2024).
  56. C.-Y. Park, and N. Killoran, Hamiltonian variational ansatz without barren plateaus, Quantum 8, 1239 (2024).
  57. M. Motta, C. Sun, A. T. Tan, M. J. O’Rourke, E. Ye, A. J. Minnich, F. G. Brandao, and G. K.-L. Chan, Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution, Nat. Phys. 16, 205 (2020).
  58. W. J. Huggins, B. A. O’Gorman, N. C. Rubin, D. R. Reichman, R. Babbush, and J. Lee, Unbiasing fermionic quantum Monte Carlo with a quantum computer, Nature 603, 416 (2022).
  59. W. Magnus, On the exponential solution of differential equations for a linear operator, Commun. Pure Appl. Math. 7, 649 (1954).
  60. S. Blanes, F. Casas, J. Oteo, and J. Ros, The Magnus expansion and some of its applications, Phys. Rep. 470, 151 (2009).
  61. A. Iserles, On the method of Neumann series for highly oscillatory equations, BIT Numer. Math. 44, 473 (2004).
  62. M. Griggs, K. Burrage, and P. Burrage, in AIP Conf. Proc., Vol. 3094 (AIP Publishing, Heraklion, 2024).
  63. P. C. Moan, and J. Niesen, Convergence of the Magnus series, Found. Comput. Math. 8, 291 (2007).
  64. F. Casas, Sufficient conditions for the convergence of the Magnus expansion, J. Phys. A: Math. Theor. 40, 15001 (2007).
  65. K. Kamm, S. Pagliarani, and A. Pascucci, On the stochastic Magnus expansion and its application to SPDEs, J. Sci. Comput. 89, 56 (2021).
  66. H. Kunita, On the representation of solutions of stochastic differential equations, in Séminaire de Probabilités XIV 1978/79 (Springer, Heidelberg, 1980).
  67. Strictly speaking, in our algorithmic implementation, the wavefunction trajectory is required to be normalized after each single step propagation via the sampled Magnus integrator according to Eq. (27). We refer readers to Appendix pp3 for detailed discussions.
  68. Note that the interrelationships between multiple stochastic integrals, as given in Burrage [48], Burrage and Burrage [49], can also be used to reduce the number of stochastic integrals required for evaluating Ω[4] in Scheme IV, similar to Scheme III. However, its expression is highly intricate, so we do not provide its explicit form. An illustrative derivation of Ω[4] in RPM is available in Appendices pp4 and pp5.
  69. F. Casas, and A. Iserles, Explicit Magnus expansions for nonlinear equations, J. Phys. A: Math. Theor. 39, 5445 (2006).
  70. J.-C. Huang, and H.-E. Li, Source code for “Towards robust variational quantum simulation of Lindblad dynamics via stochastic Magnus expansion”, 2025, https://github.com/Furthermore-F/LindbladMagnus, GitHub repository, (accessed 2025-09-17).
  71. J. A. Pauls, Y. Zhang, G. P. Berman, and S. Kais, Quantum coherence and entanglement in the avian compass, Phys. Rev. E 87, 062704 (2013).
  72. I. Kominis, Magnetic sensitivity and entanglement dynamics of the chemical compass, Chem. Phys. Lett. 542, 143 (2012).
  73. E. M. Gauger, E. Rieper, J. J. L. Morton, S. C. Benjamin, and V. Vedral, Sustained quantum coherence and entanglement in the avian compass, Phys. Rev. Lett. 106, 040503 (2011).
  74. I. Degani, and J. Schiff, RCMS: Right correction Magnus series approach for oscillatory ODEs, J. Comput. Appl. Math. 193, 413 (2006).
  75. M. Schuld, V. Bergholm, C. Gogolin, J. Izaac, and N. Killoran, Evaluating analytic gradients on quantum hardware, Phys. Rev. A 99, 032331 (2019).
  76. A. Javadi-Abhari, M. Treinish, K. Krsulich, C. J. Wood, J. Lishman, J. Gacon, S. Martiel, P. D. Nation, L. S. Bishop, A. W. Cross, B. R. Johnson, and J. M. Gambetta, Quantum computing with Qiskit, ArXiv:2405.08810.

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation