We propose a new method for simulating certain type of time-dependent Hamiltonian $H(t) = \sum_{i=1}^m γ_i(t) H_i$ where $γ_i(t)$ (and its higher order derivatives) is bounded, computable function of time $t$, and each $H_i$ is time-independent, and could be efficiently simulated. Our quantum algorithms are based on high-order Runge-Kutta method and forward Euler method, where the time interval is divided into subintervals. Then in an iterative manner, the evolution operator at given time step is built upon the evolution operator at previous time step, utilizing algorithmic operations from the recently introduced quantum singular value transformation framework.
We propose a new method for simulating certain type of time-dependent Hamiltonian H(t)=∑i=1mγi(t)Hi where γi(t) (and its higher order derivatives) is bounded, computable function of time t, and each Hi is time-independent, and could be efficiently simulated. Our quantum algorithms are based on high-order Runge-Kutta method and forward Euler method, where the time interval is divided into subintervals. Then in an iterative manner, the evolution operator at given time step is built upon the evolution operator at previous time step, utilizing algorithmic operations from the recently introduced quantum singular value transformation framework.
We describe a simple method for simulating time-independent Hamiltonian H that could be decomposed as H=∑i=1mHi where each Hi can be efficiently simulated. Approaches relying on product formula generally work by splitting the evolution time into segments, and approximate the evolution in each segment by the evolution of composing Hamiltonian Hi. This key step incur a constraint, that prohibits a (poly)logarithmic scaling on approximation error. We employ the recently introduced quantum singular value transformation framework to utilize the ability to simulate Hi in an alternative way, which then allows us to construct and simulate the main Hamiltonian H with polylogarithmical scaling on the inverse of desired error, which is a major improvement with respect to product formula approaches.
We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form H=∑i=1KHi=∑i=1KHi1⊗Hi2⊗⋯⊗HiM. Given that the entries of all {Hi1,Hi2,⋯,HiM} (for all i) are classically known, we present a procedure (with three variants) in which these operators are classically diagonalized, and then this information is fed into three possible quantum procedures to obtain the block-encoding of H. The evolution operator exp(−iHt) is then obtained using the standard block-encoding/quantum singular value transformation framework. In the case where {Hi}i=1K commute pairwise, our method can be trivially extended to the case with time-dependent coefficients. We provide a detailed discussion of the efficient regime of our hybrid framework and compare it with existing quantum simulation algorithms. Our algorithm can serve as a useful complement to existing quantum simulation algorithms, thereby expanding the reach of quantum computers for practically simulating physical systems. As a side contribution, we will show how the recent technique called \textit{randomized truncation to a quantum state} developed by Harrow, Lowe, and Witteveen [arXiv preprint arXiv:2510.08518, 2025] can be applied to the context of quantum simulation and particularly quantum state preparation, for which the latter can be of independent interest.
In this thesis, we present three innovations that can be used to simulate quantum dynamics on both quantum and classical computers. Our primary innovation is an efficient quantum algorithm for simulating time-dependent Hamiltonian evolution of general input states on a quantum computer. Given conditions on the smoothness of the Hamiltonian, the complexity of the algorithm is close to linear in the evolution time, and therefore is comparable to algorithms for time-independent Hamiltonians. In addition, we show how the complexity can be reduced by optimizing the time steps. The complexity of the algorithm is quantified by calls to an oracle, which yields information about the Hamiltonian. In contrast to previous work, which allowed an oracle query to yield an arbitrary number of bits or qubits, we assign a cost for each bit or qubit accessed, revealing hitherto unnoticed simulation costs. We also account for discretization errors in the time and the representation of the Hamiltonian. This work is enabled by our development of a decomposition scheme based on Lie-Trotter- Suzuki product formulae for ordered operator exponentials. We show, by counterexample, that Lie-Trotter-Suzuki approximations may be lower order than expected when applied to problems that have singularities or discontinuous derivatives of appropriate order. We address this problem by presenting a set of criteria that is sufficient for the validity of these approximations, prove convergence and provide upper bounds for the approximation error. We also provide a new analysis of the evolution of quantum adiabatic systems in this thesis. Our work contains the tightest upper bounds that are currently known, and the first tight lower bounds, for the error in the adiabatic approximation applied to fixed Hamiltonians in the limit of slow evolution. We use our results to address the Marzlin- Sanders counterexample Hamiltonian. Specifically, we provide sufficiency conditions for the validity of the adiabatic approximation and demonstrate that the Marzlin-Sanders counterexample fails to satisfy them. We also find a new class of time-dependent Hamiltonians that are related to the Marzlin0Sanders counterexample Hamiltonian, but nonetheless obey the adiabatic approximation for sufficiently slow evolutions.
Compared with time-independent Hamiltonians, the dynamics of generic quantum Hamiltonians H ( t ) are complicated by the presence of time ordering in the evolution operator. In the context of digital quantum simulation, this difficulty prevents a direct adaptation of many time-independent simulation algorithms for time-dependent simulation. However, there exists a framework within the theory of dynamical systems that eliminates time ordering by adding a “clock” degree of freedom. In this work, we provide a computational framework, based on this reduction, for encoding time-dependent dynamics as time-independent systems. As a result, we make two advances in digital Hamiltonian simulation. First, we create a time-dependent simulation algorithm based on performing qubitization on the augmented clock system and, in doing so, provide the first qubitization-based approach to time-dependent Hamiltonians that goes beyond Trotterization of the ordered exponential. Second, we define a natural generalization of multiproduct formulas for time-ordered exponentials and then propose and analyze an algorithm based on these formulas. Unlike other algorithms of similar accuracy, the multiproduct approach achieves commutator scaling, meaning that this method outperforms existing methods for physically local time-dependent Hamiltonians with sufficient smoothness. Our work reduces the disparity between time-dependent and time-independent simulation and indicates a step toward optimal quantum simulation of time-dependent Hamiltonians. Published by the American Physical Society 2024
The most widely used approach for simulating the dynamics of time-dependent Hamiltonians via quantum computation depends on the quantum-classical hybrid variational quantum time evolution algorithm, in which ordinary differential equations of the variational coefficients for determining time evolution are solved via classical simulations with a time discretization method. We here present a full-quantum approach, in which ordinary differential equations of the variational coefficients are transformed into static linear equations via the Chebyshev spectral discretization method and then solved via the quantum singular value transformation algorithm. Our full quantum algorithm avoids classical feedback, achieves exponential convergence for smooth Hamiltonians, and yields a quantum circuit depth that is independent of the number of time steps. We demonstrate two implementation strategies, with a global formulation designed for fault-tolerant architectures and a sequential formulation tailored to near-term devices, and validate the approach through numerical simulations of proton-hydrogen charge-transfer dynamics, a prototypical time-dependent quantum chemistry problem. This work establishes a systematic pathway from quantum-classical hybrid variational quantum algorithms to full-quantum solvers for general time-dependent Hamiltonians, particularly those whose dynamics admit compact variational descriptions, opening a route toward full quantum computational advantages in time-dependent simulations.
This paper presents a novel approach to quantum computing leveraging multi-scale modeling and simulation. The core claim is to develop a method capable of simultaneously simulating quantum systems at both microscopic and macroscopic levels, thereby enhancing the precision and efficiency of quantum computations. This is achieved through the construction of a multi-scale model integrating quantum mechanics and classical mechanics, coupled with advanced numerical simulation techniques. The proposed framework addresses the limitations of current quantum simulation methods by offering a more holistic representation of quantum systems. This allows for a deeper understanding of quantum phenomena and ultimately contributes to the advancement of quantum computing technologies. The key mathematical components utilized within this framework include the Schrödinger equation, perturbation theory, and various numerical integration schemes. Specifically, the time evolution of a quantum state is governed by the equation: (iħ ∂/∂t) |ψ(t)> = H |ψ(t)> where |ψ(t)> is the quantum state at time *t*, *ħ* is the reduced Planck constant, and *H* is the Hamiltonian operator. Perturbation theory, used to approximate the solution when the Hamiltonian is not solvable exactly, relies on the expansion: |ψperturbed>(t) = |ψunperturbed>(t) + ∑n=1∞ (-1)n+1 *An* |ψn>(t) where *An* are the perturbation coefficients. Numerical integration techniques, such as the Runge-Kutta method, are employed to approximate the time evolution operator. The accuracy of the simulation is critically dependent on the chosen time step, Δt, and the order of the integration method. A smaller Δt generally leads to higher accuracy but requires more computational resources. The overall approach seeks to bridge the gap between theoretical quantum mechanics and practical quantum computation, offering a viable path towards building more sophisticated and reliable quantum computers.