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arXiv:2602.03099 · Quantum Science and Technology

Resource-efficient quantum simulation of transport phenomena via Hamiltonian embedding

Joseph Li, Gengzhi Yang, Jiaqi Leng, Xiaodi Wu

quant-phSubmitted Feb 3, 2026• Announced Feb 4, 2026• 0 citations
arXivHTMLPDF

Abstract

Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms either lack rigorous theoretical guarantees or demand substantial quantum resources, preventing scalable and efficient validation on realistic quantum hardware. To address this gap, we develop a comprehensive framework for simulating classes of transport equations, offering both rigorous theoretical guarantees -- including exponential speedups in specific cases -- and a systematic, hardware-efficient implementation. Central to our approach is the Hamiltonian embedding technique, a white-box approach for end-to-end simulation of sparse Hamiltonians that avoids abstract query models and retains near-optimal asymptotic complexity. Empirical resource estimates indicate that our approach can yield an order-of-magnitude (e.g., $42\times$) reduction in circuit depth given favorable problem structures. We then apply our framework to solve linear and nonlinear transport PDEs, including the first experimental demonstration of a 2D advection equation on a trapped-ion quantum computer.

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27 pages, 7 figures

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Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms either lack rigorous theoretical guarantees or demand substantial quantum resources, preventing scalable and efficient validation on realistic quantum hardware. To address this gap, we develop a comprehensive framework for simulating classes of transport equations, offering both rigorous theoretical guarantees -- including exponential speedups in specific cases -- and a systematic, hardware-efficient implementation. Central to our approach is the Hamiltonian embedding technique, a white-box approach for end-to-end simulation of sparse Hamiltonians that avoids abstract query models and retains near-optimal asymptotic complexity. Empirical resource estimates indicate that our approach can yield an order-of-magnitude (e.g., 42×42\times42×) reduction in circuit depth given favorable problem structures. We then apply our framework to solve linear and nonlinear transport PDEs, including the first experimental demonstration of a 2D advection equation on a trapped-ion quantum computer.
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although several theoretically appealing quantum algorithms have been proposed for this task, they typically require a black-box query model of the sparse Hamiltonian, rendering them impractical for near-term implementation on quantum devices.In this paper, we propose a technique named Hamiltonian embedding . This technique simulates a desired sparse Hamiltonian by embedding it into the evolution of a larger and more structured quantum system, allowing for more efficient simulation through hardware-efficient operations. We conduct a systematic study of this new technique and demonstrate significant savings in computational resources for implementing prominent quantum applications. As a result, we can now experimentally realize quantum walks on complicated graphs (e.g., binary trees, glued-tree graphs), quantum spatial search, and the simulation of real-space Schrödinger equations on current trapped-ion and neutral-atom platforms. Given the fundamental role of Hamiltonian evolution in the design of quantum algorithms, our technique markedly expands the horizon of implementable quantum advantages in the NISQ era.
Abstract The extent to which quantum computers can simulate physical phenomena and solve the partial differential equations (PDEs) that govern them remains a central open question. In this work, one of the most fundamental PDEs is addressed: the multidimensional transport equation with space- and time-dependent coefficients. We present a quantum numerical scheme based on three steps: quantum state preparation, evolution, and measurement of relevant observables. The evolution step combines a high-order centered finite difference with a time-splitting scheme based on product formula approximations, also known as Trotterization. We introduce a novel vector-norm analysis and prove that the number of time-steps can be reduced by a factor exponential in the number of qubits, compared with previously established operator-norm analysis. This new scaling significantly reduces the projected computational resources, independently of the circuit implementation of the trotterized evolution operator. We also present efficient quantum circuits based on (sparse) Walsh approximations along with numerical simulations that confirm the predicted vector-norm scaling. We report results on real quantum hardware for the one-dimensional convection equation, and solve a non-linear ordinary differential equation via its associated Liouville equation, a particular case of transport equations. This work provides a practical framework for efficiently simulating transport phenomena on quantum computers, with potential applications in plasma physics, molecular gas dynamics and non-linear dynamical systems, including chaotic systems.
How well can quantum computers simulate classical dynamical systems? There is increasing effort in developing quantum algorithms to efficiently simulate dynamics beyond Hamiltonian simulation, but so far exact resource estimates are not known. In this work, we provide two significant contributions. First, we give the first non-asymptotic computation of the cost of encoding the solution to general linear ordinary differential equations into quantum states – either the solution at a final time, or an encoding of the whole history within a time interval. Second, we show that the stability properties of a large class of classical dynamics allow their fast-forwarding, making their quantum simulation much more time-efficient. From this point of view, quantum Hamiltonian dynamics is a boundary case that does not allow this form of stability-induced fast-forwarding. In particular, we find that the history state can always be output with complexity O(T1/2) for any stable linear system. We present a range of asymptotic improvements over state-of-the-art in various regimes. We illustrate our results with a family of dynamics including linearized collisional plasma problems, coupled, damped, forced harmonic oscillators and dissipative nonlinear problems. In this case the scaling is quadratically improved, and leads to significant reductions in the query counts after inclusion of all relevant constant prefactors.
The Quantum Lattice Boltzmann Method (QLBM) has emerged as one of the most promising quantum computing approaches for the numerical simulation of problems in computational fluid dynamics (CFD). The dynamics is formulated in terms of mesoscopic particle distribution functions governed by a discrete Boltzmann transport equation, comprising local streaming and collision operations. In this work, the resulting macroscopic behavior corresponds to the advection-diffusion equation, which we adopt as a canonical model problem for transport phenomena. Building upon recent progress in QLBM implementations, we advance towards more realistic problem settings that better reflect conventional CFD requirements. We address, for the first time, transport under the action of non uniform velocity fields on quantum hardware. We implement our demonstration using IonQ's trapped-ion systems including Forte generation systems and a 64-qubit Barium development system similar to the forthcoming IonQ Tempo line. We identify the density readout and subsequent reloading of the fluid density as a potential bottleneck of the current algorithm and discuss several approaches to mitigate this bottleneck. We identify the use of MPS shadow tomography as a promising method to efficiently scale the readout to large system with complex density distributions. Lastly, we introduce and simulate a novel method to implement wall boundaries for advection-diffusion in QLBM, and discuss the prospects of scaling to higher-complexity problems.
We present a novel approach to solving the advection equation under arbitrary velocity fields using a quantuminspired ‘Schrödingerisation’ technique for Hamiltonian simulation. Although numerous methods exist for solving partial differential equations (PDEs), Hamiltonian simulation remains a relatively underexplored yet promising direction-particularly in the context of long-term, fault-tolerant quantum computing. Building on this potential, our quantum algorithm is designed to accommodate non-trivial, spatially varying velocity fields and is applicable to both 2D and 3D advection problems. To ensure numerical stability, the algorithm incorporates an upwinding discretization scheme, which we adapt for quantum implementation through a combination of approximation and optimization techniques. We demonstrate the algorithm's effectiveness on benchmark cases involving rotational and shear flows in two and three dimensions. Moreover, we successfully implement the 2D advection equation using 16 qubits on IBM Quantum hardware, validating the approach and showcasing its practical applicability and robustness.
Abstract We propose an explicit quantum framework for numerically simulating general linear partial differential equations (PDEs), extending previous work (Guseynov et al 2025 Phys. Rev. Res. 7 033100) to incorporate (a) Robin boundary conditions—which include Neumann and Dirichlet conditions as special cases–(b) inhomogeneous terms, and (c) variable coefficients in space and time. Our approach begins with a general finite-difference discretization and applies the Schrödingerisation technique to transform the resulting system into one that admits unitary quantum evolution, enabling quantum simulation. For the Schrödinger equation corresponding to the discretized PDE, we construct an efficient block-encoding of the Hamiltonian H that scales polylogarithmically with the number of grid points N . This encoding is compatible with quantum signal processing and allows for the implementation of the evolution operator e − i H t . The explicit circuit construction in our method permits complexity to be measured in fundamental gate units–namely, CNOT gates and single-qubit rotations–bypassing the inefficiencies of oracle queries. Consequently, the overall algorithm scales polynomially with N and linearly with the spatial dimension d . Under certain input/output assumptions our method achieves a polynomial speedup in N and an exponential advantage in d for a wide class of PDEs, thereby mitigating the classical curse of dimensionality. The validity and efficiency of the proposed approach are further substantiated by numerical simulations. By explicitly defining the quantum operations and quantifying their resource requirements, our approach offers a practical alternative for numerically solving PDEs, distinct from others that rely on oracle queries and purely asymptotic scaling methods.