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arXiv:2609.06179

Quantum lattice Boltzmann method via density-matrix encoding for fluid simulation with wall boundary conditions

Hao Su, Boyuan Wang, Yue Yang

quant-phSubmitted Sep 5, 2026• Announced Sep 8, 2026• 0 citations
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Abstract

The quantum lattice Boltzmann method (QLBM) holds promise for efficient fluid simulations, yet the treatment of realistic boundary conditions, particularly solid wall boundary with arbitrary geometry, remains a critical open challenge. We propose a QLBM algorithm that incorporates wall boundaries as well as inlet/outlet velocity conditions. Building upon the existing QLBM with ensemble transformations, we adopt a density-matrix encoding that offers greater flexibility in circuit design and enables the implementation of non-unitary operations through Kraus operators. For boundary enforcement, we design a quantum implementation of the half-way bounce-back scheme and introduce a component exchange step prior to the streaming step, which naturally enforces the no-slip condition without modifying the transport operation. Inlet and outlet conditions are imposed via controlled SWAP operations combined with ancilla registers prepared in the prescribed velocity states. Our QLBM is quantitatively validated through simulations of two-dimensional flows past a backward-facing step, a cylinder, and an obstacle with complex geometry, demonstrating both accuracy and extensibility of our boundary algorithm.

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Classical computational fluid dynamics (CFD) methods encounter significant computational bottlenecks in large systems and at high Reynolds number flows due to the rapid increase in degrees of freedom, even on flagship supercomputers. As quantum computers emerge, the Quantum Lattice Boltzmann Method (QLBM) has been proposed as a quantum-native alternative for solving fluid dynamics problems. However, until recently, nearly all studies have relied on classical quantum simulators rather than real quantum hardware. This study presents a benchmark of a one-dimensional QLBM implementation executed on three different IBM Quantum hardware. We design and test a quantum circuit for the advection-diffusion equation using amplitude encoding, a Bhatnagar-Gross-Krook (BGK)-type collision operator, and a streaming step with periodic boundary conditions. Our numerical experiments evaluate transpiled two-qubit gate count, total circuit depth, runtime, and accuracy metrics including maximum absolute error ($L_\infty$ norm) and root-mean-square error (RMSE). We find that the present collision and streaming operators dominate the overall cost and become the primary scalability bottleneck on current hardware. To mitigate the prohibitive cost of full quantum state tomography on hardware-based benchmarking exercises, we introduce a sampler-based measurement strategy that reconstructs macroscopic density fields directly from computational-basis measurements. This approach substantially reduces measurement overhead while preserving the expected advection-diffusion dynamics on hardware. These results provide a quantitative assessment of QLBM performance in the noisy intermediate-scale quantum (NISQ) regime and identify the principal algorithmic and experimental limitations that must be addressed for QLBM to become viable for fluid dynamics.

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The quantum lattice Boltzmann method (QLBM) holds promise for efficient fluid simulations, yet the treatment of realistic boundary conditions, particularly solid wall boundary with arbitrary geometry, remains a critical open challenge. We propose a QLBM algorithm that incorporates wall boundaries as well as inlet/outlet velocity conditions. Building upon the existing QLBM with ensemble transformations, we adopt a density-matrix encoding that offers greater flexibility in circuit design and enables the implementation of non-unitary operations through Kraus operators. For boundary enforcement, we design a quantum implementation of the half-way bounce-back scheme and introduce a component exchange step prior to the streaming step, which naturally enforces the no-slip condition without modifying the transport operation. Inlet and outlet conditions are imposed via controlled SWAP operations combined with ancilla registers prepared in the prescribed velocity states. Our QLBM is quantitatively validated through simulations of two-dimensional flows past a backward-facing step, a cylinder, and an obstacle with complex geometry, demonstrating both accuracy and extensibility of our boundary algorithm.
In this paper, we propose a complete formulation of the Lattice Boltzmann Method adapted for quantum computing. The classical collision, based on linear equilibrium distribution functions and streaming steps, are reformulated as linear algebraic operations. The inherently non-unitary collision operator is decomposed using Singular Value Decomposition and the Linear Combination of Unitaries technique. Bounce-back boundary conditions are incorporated directly into the collision matrix, while the streaming step is realized through conditional unitary shift operations on spatial registers, controlled by lattice velocity indices encoded in the distribution function register. This formulation ensures that the streaming step remains purely unitary. The resulting quantum circuit is implemented using Qiskit and validated against Couette flow and Poiseuille flow benchmarks. The simulation accurately reproduces the expected velocity profile, with relative errors below 1 0 − 4 . This work establishes a foundational framework for quantum fluid solvers and provides a pathway toward quantum computational fluid dynamics.
Quantum Lattice Boltzmann Methods (QLBM) have emerged as a promising candidate for quantum realizations of computational fluid dynamics solvers. However, despite intensive research into the QLBM in recent years, methods for imposing boundary conditions remain limited both in terms of efficiency and expressivity. In this work, we introduce a new method for imposing simple boundary conditions on QLBM that overcomes several limitations of current approaches. Our method forgoes the partitioning of the solid domain into segments and instead applies a single, coherent operation on the entire boundary. We show that our method requires fewer resources both asymptotically and practically for bounce-back and specular reflection boundary conditions.
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.
The Quantum Lattice Boltzmann Method (QLBM) is one of the most promising approaches for realizing the potential of quantum computing in simulating computational fluid dynamics. Many recent works mostly focus on classical simulation, and rely on full state tomography. Several key algorithmic issues like observable readout, data encoding, and impractical circuit depth remain unsolved. As a result, these are not directly realizable on any quantum hardware. We present a series of novel algorithmic advances which allow us to implement the QLBM algorithm, for the first time, on a quantum computer. Hardware results for the time evolution of a 2D Gaussian initial density distribution subject to a uniform advection-diffusion field are presented. Furthermore, 3D simulation results are presented for particular non-uniform advection fields, devised so as to avoid the problem of diminishing probability of success due to repeated post-selection operations required for multiple timesteps. We demonstrate the evolution of an initial quantum state governed by the advection-diffusion equation, accounting for the iterative nature of the explicit QLBM algorithm. A tensor network encoding scheme is used to represent the initial condition supplied to the advection-diffusion equation, significantly reducing the two-qubit gate count affording a shorter circuit depth. Further reductions are made in the collision and streaming operators. Collectively, these advances give a path to realizing more practical, 2D and 3D QLBM applications with non-trivial velocity fields on quantum hardware.
Quantum algorithms have been identified as a potential means to accelerate computational fluid dynamics (CFD) simulations, with the lattice Boltzmann method (LBM) being a promising candidate for realizing quantum speedups. Here, we extend the recent quantum algorithm for the incompressible LBM to account for realistic fluid dynamics setups by incorporating walls, inlets, outlets, and external forcing. We analyze the associated complexity cost and show that these modifications preserve the asymptotic scaling, and potential quantum advantage, of the original algorithm. Moreover, to support our theoretical analysis, we provide a classical numerical study illustrating the accuracy, complexity, and convergence of the algorithm for representative incompressible-flow cases, including the driven Taylor-Green vortex, the lid-driven cavity flow, and the flow past a cylinder. Our results provide a pathway to accurate quantum simulation of nonlinear fluid dynamics, and a framework for extending quantum LBM to more challenging flow configurations.
Classical computational fluid dynamics (CFD) methods encounter significant computational bottlenecks in large systems and at high Reynolds number flows due to the rapid increase in degrees of freedom, even on flagship supercomputers. As quantum computers emerge, the Quantum Lattice Boltzmann Method (QLBM) has been proposed as a quantum-native alternative for solving fluid dynamics problems. However, until recently, nearly all studies have relied on classical quantum simulators rather than real quantum hardware. This study presents a benchmark of a one-dimensional QLBM implementation executed on three different IBM Quantum hardware. We design and test a quantum circuit for the advection-diffusion equation using amplitude encoding, a Bhatnagar-Gross-Krook (BGK)-type collision operator, and a streaming step with periodic boundary conditions. Our numerical experiments evaluate transpiled two-qubit gate count, total circuit depth, runtime, and accuracy metrics including maximum absolute error (L∞L_\inftyL∞​ norm) and root-mean-square error (RMSE). We find that the present collision and streaming operators dominate the overall cost and become the primary scalability bottleneck on current hardware. To mitigate the prohibitive cost of full quantum state tomography on hardware-based benchmarking exercises, we introduce a sampler-based measurement strategy that reconstructs macroscopic density fields directly from computational-basis measurements. This approach substantially reduces measurement overhead while preserving the expected advection-diffusion dynamics on hardware. These results provide a quantitative assessment of QLBM performance in the noisy intermediate-scale quantum (NISQ) regime and identify the principal algorithmic and experimental limitations that must be addressed for QLBM to become viable for fluid dynamics.