We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm that is both insensitive to the rapid changes of the time-dependent Hamiltonian and exhibits commutator scaling. Our method can be used for efficient Hamiltonian simulation in the interaction picture. In particular, we demonstrate that for the simulation of the Schr\odinger equation, our method exhibits superconvergence and achieves a surprising second order convergence rate, of which the proof rests on a careful application of pseudo-differential calculus. Numerical results verify the effectiveness and the superconvergence property of our method.We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm that is both insensitive to the rapid changes of the time-dependent Hamiltonian and exhibits commutator scaling. Our method can be used for efficient Hamiltonian simulation in the interaction picture. In particular, we demonstrate that for the simulation of the Schr\odinger equation, our method exhibits superconvergence and achieves a surprising second order convergence rate, of which the proof rests on a careful application of pseudo-differential calculus. Numerical results verify the effectiveness and the superconvergence property of our method.

Nov 7, 20211 citation

Superconvergence of High-order Magnus Quantum Algorithms

Fang, Di, Jiaqi Zhang

The Magnus expansion has long been a celebrated subject in numerical analysis, leading to the development of many useful classical integrators. More recently, it has been discovered to be a powerful tool for designing quantum algorithms for Hamiltonian simulation in quantum computing. In particular, surprising superconvergence behavior has been observed for quantum Magnus algorithms applied to the simulation of the Schrödinger equation, with the first- and second-order methods exhibiting doubled convergence order. In this work, we provide a rigorous proof that such superconvergence extends to general high-order quantum Magnus algorithms. Specifically, we show that a quantum Magnus algorithm of order $p$ achieves the superconvergence of order $2p$ in time when applying to the Schrödinger equation simulation in the interaction picture. Our analysis combines techniques from semiclassical analysis and Weyl calculus, offering a new perspective on the mathematical foundations of quantum algorithms for time-dependent Hamiltonian simulation.The Magnus expansion has long been a celebrated subject in numerical analysis, leading to the development of many useful classical integrators. More recently, it has been discovered to be a powerful tool for designing quantum algorithms for Hamiltonian simulation in quantum computing. In particular, surprising superconvergence behavior has been observed for quantum Magnus algorithms applied to the simulation of the Schrödinger equation, with the first- and second-order methods exhibiting doubled convergence order. In this work, we provide a rigorous proof that such superconvergence extends to general high-order quantum Magnus algorithms. Specifically, we show that a quantum Magnus algorithm of order $p$ achieves the superconvergence of order $2p$ in time when applying to the Schrödinger equation simulation in the interaction picture. Our analysis combines techniques from semiclassical analysis and Weyl calculus, offering a new perspective on the mathematical foundations of quantum algorithms for time-dependent Hamiltonian simulation.

arXiv:2509.22897Sep 26, 20250 citations

Quantum simulation of highly-oscillatory many-body Hamiltonians for near-term devices

Guannan Chen, Mohammadali Foroozandeh, Chris J. Budd +1 more

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$ . A major hurdle in the utilization of the Magnus expansion is the appearance of a commutator term which leads to prohibitively long circuits. We present a technique for eliminating this commutator and find that a single time-step of the resulting algorithm is only marginally costlier than that required for time-stepping with a time-independent Hamiltonian, requiring only three additional single-qubit layers. For a large class of Hamiltonians appearing in liquid-state nuclear magnetic resonance (NMR) applications, we further exploit symmetries of the Hamiltonian and achieve a surprising reduction in the expansion, whereby a single time-step of our fourth-order method has a circuit structure and cost that is identical to that required for a fourth-order Trotterized time-stepping procedure for time-independent Hamiltonians. Moreover, our algorithms are able to take time-steps that are larger than the wavelength of oscillation of the time-dependent Hamiltonian, making them particularly suited for highly-oscillatory controls. The resulting quantum circuits have shorter depths for all levels of accuracy when compared to first and second-order Trotterized methods, as well as other fourth-order Trotterized methods, making the proposed algorithm a suitable candidate for simulation of time-dependent Hamiltonians on near-term quantum devices.We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the Magnus expansion is the appearance of a commutator term which leads to prohibitively long circuits. We present a technique for eliminating this commutator and find that a single time-step of the resulting algorithm is only marginally costlier than that required for time-stepping with a time-independent Hamiltonian, requiring only three additional single-qubit layers. For a large class of Hamiltonians appearing in liquid-state nuclear magnetic resonance (NMR) applications, we further exploit symmetries of the Hamiltonian and achieve a surprising reduction in the expansion, whereby a single time-step of our fourth-order method has a circuit structure and cost that is identical to that required for a fourth-order Trotterized time-stepping procedure for time-independent Hamiltonians. Moreover, our algorithms are able to take time-steps that are larger than the wavelength of oscillation of the time-dependent Hamiltonian, making them particularly suited for highly-oscillatory controls. The resulting quantum circuits have shorter depths for all levels of accuracy when compared to first and second-order Trotterized methods, as well as other fourth-order Trotterized methods, making the proposed algorithm a suitable candidate for simulation of time-dependent Hamiltonians on near-term quantum devices.

arXiv:2312.08310Dec 13, 20231 citation

Numerical Quantum Dynamics

Emil Kieri

We consider computational methods for simulating the dynamics of molecular systems governed by the time-dependent Schrödinger equation. Solving the Schrödinger equation numerically poses a challenge due to its often highly oscillatory solutions, and to the exponential growth of work and memory with the number of particles in the system. Two different classes of problems are studied: the dynamics of the nuclei in a molecule and the dynamics of an electron in orbit around a nucleus. For the first class of problems we present new computational methods which exploit the relation between quantum and classical dynamics in order to make the computations more efficient. For the second class of problems, the lack of regularity in the solution poses a computational challenge. Using knowledge of the non-smooth features of the solution we construct a new method with two orders higher accuracy than what is achieved by direct application of a difference stencil.We consider computational methods for simulating the dynamics of molecular systems governed by the time-dependent Schrödinger equation. Solving the Schrödinger equation numerically poses a challenge due to its often highly oscillatory solutions, and to the exponential growth of work and memory with the number of particles in the system. Two different classes of problems are studied: the dynamics of the nuclei in a molecule and the dynamics of an electron in orbit around a nucleus. For the first class of problems we present new computational methods which exploit the relation between quantum and classical dynamics in order to make the computations more efficient. For the second class of problems, the lack of regularity in the solution poses a computational challenge. Using knowledge of the non-smooth features of the solution we construct a new method with two orders higher accuracy than what is achieved by direct application of a difference stencil.

Jan 1, 20130 citations

High-order Magnus expansion for Hamiltonian simulation

Di Fang, Diyi Liu, Shuchen Zhu

Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their time-independent counterparts due to the complexity introduced by time ordering. Existing algorithms that aim to capture commutator-based scaling either exhibit polynomial cost dependence on the Hamiltonian’s time derivatives or are limited to low-order accuracy. In this work, we establish the general commutator-scaling error bounds for the truncated Magnus expansion at arbitrary order, where only Hamiltonian terms appear in the nested commutators, with no time derivatives involved. Building on this analysis, we design a high-order quantum algorithm with explicit circuit constructions. The algorithm achieves cost scaling with the commutator structure in the high-precision regime and depends only logarithmically on the Hamiltonian’s time variation, making it efficient under the standard input model for general time-dependent settings, including Hamiltonians arising in the interaction picture.Efficient simulation of quantum dynamics with time-dependent Hamiltonians is important not only for time-varying systems but also for time-independent Hamiltonians in the interaction picture. Such simulations are more challenging than their time-independent counterparts due to the complexity introduced by time ordering. Existing algorithms that aim to capture commutator-based scaling either exhibit polynomial cost dependence on the Hamiltonian’s time derivatives or are limited to low-order accuracy. In this work, we establish the general commutator-scaling error bounds for the truncated Magnus expansion at arbitrary order, where only Hamiltonian terms appear in the nested commutators, with no time derivatives involved. Building on this analysis, we design a high-order quantum algorithm with explicit circuit constructions. The algorithm achieves cost scaling with the commutator structure in the high-precision regime and depends only logarithmically on the Hamiltonian’s time variation, making it efficient under the standard input model for general time-dependent settings, including Hamiltonians arising in the interaction picture.

arXiv:2509.06054npj Quantum InformationOct 7, 20260 citations

Quantum Algorithm for Time-Dependent Hamiltonian Simulation by Permutation Expansion

Yi‐Hsiang Chen, Amir Kalev, Itay Hen

We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians.Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series of the time-evolution operator.Under this representation, we perform a quantum simulation for the time-evolution operator by means of the linear combination of unitaries technique.We optimize the time steps of the evolution based on the Hamiltonian's dynamical characteristics, leading to a gate count that scales with an L 1 -norm-like scaling with respect only to the norm of the interaction Hamiltonian, rather than that of the total Hamiltonian.We demonstrate that the cost of the algorithm is independent of the Hamiltonian's frequencies, implying its advantage for systems with highly oscillating components, and for time-decaying systems the cost does not scale with the total evolution time asymptotically.In addition, our algorithm retains the near optimal log(1/ )/ log log(1/ ) scaling with simulation error .We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians.Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series of the time-evolution operator.Under this representation, we perform a quantum simulation for the time-evolution operator by means of the linear combination of unitaries technique.We optimize the time steps of the evolution based on the Hamiltonian's dynamical characteristics, leading to a gate count that scales with an L 1 -norm-like scaling with respect only to the norm of the interaction Hamiltonian, rather than that of the total Hamiltonian.We demonstrate that the cost of the algorithm is independent of the Hamiltonian's frequencies, implying its advantage for systems with highly oscillating components, and for time-decaying systems the cost does not scale with the total evolution time asymptotically.In addition, our algorithm retains the near optimal log(1/ )/ log log(1/ ) scaling with simulation error .

arXiv:2103.15334PRX QuantumSep 9, 202131 citations

p

achieves the superconvergence of order

2p

in time when applying to the Schrödinger equation simulation in the interaction picture. Our analysis combines techniques from semiclassical analysis and Weyl calculus, offering a new perspective on the mathematical foundations of quantum algorithms for time-dependent Hamiltonian simulation.

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians,

\mathcal{H}(t)

. A major hurdle in the utilization of the Magnus expansion is the appearance of a commutator term which leads to prohibitively long circuits. We present a technique for eliminating this commutator and find that a single time-step of the resulting algorithm is only marginally costlier than that required for time-stepping with a time-independent Hamiltonian, requiring only three additional single-qubit layers. For a large class of Hamiltonians appearing in liquid-state nuclear magnetic resonance (NMR) applications, we further exploit symmetries of the Hamiltonian and achieve a surprising reduction in the expansion, whereby a single time-step of our fourth-order method has a circuit structure and cost that is identical to that required for a fourth-order Trotterized time-stepping procedure for time-independent Hamiltonians. Moreover, our algorithms are able to take time-steps that are larger than the wavelength of oscillation of the time-dependent Hamiltonian, making them particularly suited for highly-oscillatory controls. The resulting quantum circuits have shorter depths for all levels of accuracy when compared to first and second-order Trotterized methods, as well as other fourth-order Trotterized methods, making the proposed algorithm a suitable candidate for simulation of time-dependent Hamiltonians on near-term quantum devices.