The advent of quantum computers , operating on entirely different physical principles and abstractions from those of classical digital computers , sets forth a new computing paradigm that can potentially result in game-changing efficiencies and computational performance. Specifically, the ability to simultaneously evolve the state of an entire quantum system leads to quantum parallelism and interference. Despite these prospects, opportunities to bring quantum computing to bear on problems of computational mechanics remain largely unexplored. In this work, we demonstrate how quantum computing can indeed be used to solve representative volume element (RVE) problems in computational homogenisation with polylogarithmic complexity of 𝒪 ( ( l o g 𝑁 ) 𝑐 ) , compared to 𝒪 ( 𝑁 𝑐 ) in classical computing. Thus, our quantum RVE solver attains exponential acceleration with respect to classical solvers, bringing concurrent multiscale computing closer to practicality. The proposed quantum RVE solver combines conventional algorithms such as a fixed-point iteration for a homogeneous reference material and the Fast Fourier Transform (FFT). However, the quantum computing reformulation of these algorithms requires a fundamental paradigm shift and a complete rethinking and overhaul of the classical implementation. We employ or develop several techniques, including the Quantum Fourier Transform (QFT), quantum encoding of polynomials, classical piecewise Chebyshev approximation of functions and an auxiliary algorithm for implementing the fixed-point iteration and show that, indeed, an efficient implementation of RVE solvers on quantum computers is possible. We additionally provide theoretical proofs and numerical evidence confirming the anticipated 𝒪 ( ( l o g 𝑁 ) 𝑐 ) complexity of the proposed solver.
The advent of quantum computers , operating on entirely different physical principles and abstractions from those of classical digital computers , sets forth a new computing paradigm that can potentially result in game-changing efficiencies and computational performance. Specifically, the ability to simultaneously evolve the state of an entire quantum system leads to quantum parallelism and interference. Despite these prospects, opportunities to bring quantum computing to bear on problems of computational mechanics remain largely unexplored. In this work, we demonstrate how quantum computing can indeed be used to solve representative volume element (RVE) problems in computational homogenisation with polylogarithmic complexity of 𝒪 ( ( l o g 𝑁 ) 𝑐 ) , compared to 𝒪 ( 𝑁 𝑐 ) in classical computing. Thus, our quantum RVE solver attains exponential acceleration with respect to classical solvers, bringing concurrent multiscale computing closer to practicality. The proposed quantum RVE solver combines conventional algorithms such as a fixed-point iteration for a homogeneous reference material and the Fast Fourier Transform (FFT). However, the quantum computing reformulation of these algorithms requires a fundamental paradigm shift and a complete rethinking and overhaul of the classical implementation. We employ or develop several techniques, including the Quantum Fourier Transform (QFT), quantum encoding of polynomials, classical piecewise Chebyshev approximation of functions and an auxiliary algorithm for implementing the fixed-point iteration and show that, indeed, an efficient implementation of RVE solvers on quantum computers is possible. We additionally provide theoretical proofs and numerical evidence confirming the anticipated 𝒪 ( ( l o g 𝑁 ) 𝑐 ) complexity of the proposed solver.
The advent of quantum computers, operating on entirely different physical principles and abstractions from those of classical digital computers, sets forth a new computing paradigm that can potentially result in game-changing efficiencies and computational performance. Specifically, the ability to simultaneously evolve the state of an entire quantum system leads to quantum parallelism and interference. Despite these prospects, opportunities to bring quantum computing to bear on problems of computational mechanics remain largely unexplored. In this work, we demonstrate how quantum computing can indeed be used to solve representative volume element (RVE) problems in computational homogenisation with polylogarithmic complexity of O((logN)c), compared to O(Nc) in classical computing. Thus, our quantum RVE solver attains exponential acceleration with respect to classical solvers, bringing concurrent multiscale computing closer to practicality. The proposed quantum RVE solver combines conventional algorithms such as a fixed-point iteration for a homogeneous reference material and the Fast Fourier Transform (FFT). However, the quantum computing reformulation of these algorithms requires a fundamental paradigm shift and a complete rethinking and overhaul of the classical implementation. We employ or develop several techniques, including the Quantum Fourier Transform (QFT), quantum encoding of polynomials, classical piecewise Chebyshev approximation of functions and an auxiliary algorithm for implementing the fixed-point iteration and show that, indeed, an efficient implementation of RVE solvers on quantum computers is possible. We additionally provide theoretical proofs and numerical evidence confirming the anticipated O((logN)c) complexity of the proposed solver.
QAFE2: Quantum accelerated multiscale finite element analysis
The computational cost of concurrent multiscale finite element methods is dominated by the repeated solution of microscopic representative volume element (RVE) problems at macroscopic quadrature points. In this work, we introduce a quantum-classical framework for multiscale finite element analysis (QAFE2) that leverages quantum parallelism to fundamentally alter the scaling of RVE-based homogenisation. At the single-RVE level, the proposed quantum solver attains polylogarithmic complexity with respect to the microscopic discretisation size, yielding an exponential asymptotic speedup over the best available classical solvers. More importantly, QAFE2 exploits quantum superposition and entanglement to evaluate, in a single quantum execution, the entire ensemble of RVE problems associated with all macroscopic quadrature points. This capability is a form of intrinsic quantum concurrency with no classical analogue. Numerical experiments on one- and two-dimensional model problems with known analytical solutions confirm the accuracy of the proposed formulation and verify the theoretical computational scaling and parallel performance.
The advent of quantum computing has ushered in a new era of computational capabilities, promising to revolutionize the resolution of complex problems. Unlike classical computers, which rely on binary digits (bits) to process information, quantum computers utilize quantum bits (qubits) that can exist in multiple states simultaneously due to the principles of superposition and entanglement inherent in quantum mechanics. This fundamental difference allows quantum computers to perform certain calculations exponentially faster than their classical counterparts, offering profound implications for fields ranging from cryptography to material science. At the heart of this transformative potential lie quantum algorithms, specifically designed to harness the unique properties of quantum systems to tackle problems currently intractable for classical computers. Notable examples include Shor's algorithm for integer factorization, which threatens the security of widely used cryptographic schemes, and Grover's algorithm for unstructured search, which provides a quadratic speedup over classical approaches. Beyond these pioneering works, ongoing research continues to uncover new quantum algorithms capable of addressing a broad spectrum of applications. The proposed method leverages the principles of quantum mechanics to develop efficient algorithms that outperform classical approaches in solving complex computational problems. By harnessing the unique properties of quantum bits (qubits), such as superposition and entanglement, the method aims to achieve superior accuracy and efficiency in various applications. The performance of the proposed method was evaluated using several key metrics: an accuracy of 94.8%, a Root Mean Squared Error (RMSE) of 0.208, and a Mean Absolute Error (MAE) of 0.406. These metrics collectively underscore the robustness and reliability of the proposed quantum algorithms, highlighting their potential to significantly enhance computational efficiency and accuracy across various domains. This study delves into the development of quantum algorithms, exploring their theoretical foundations, practical implementations, and the challenges faced in their realization. By leveraging the principles of quantum mechanics, these algorithms hold the promise of not only solving existing problems more efficiently but also unlocking new computational paradigms previously deemed unattainable. Through a comprehensive analysis, this research aims to elucidate the current state of quantum algorithm research, highlight the advancements made, and identify the pathways forward in this rapidly evolving field.
Abstract Quantum computing (QC) has emerged as a new computational paradigm with the potential for exponential speedup in specific applications. However, current limitations of quantum technology, including decoherence, noise, and restricted qubit counts, pose significant challenges. In this work, we present a proof-of-concept for a hybrid quantum-classical Harmonic Balance (h-HB) solver for time-periodic flow problems. The method leverages the Quantum Fourier Transform (QFT) for Fourier coefficient computation, motivated by its theoretical exponential time-complexity advantage over the Fast Fourier Transform (FFT). We derive error bounds, analyze convergence, and directly compare the hybrid solver’s performance with a classical HB solver for a time-periodic flow problem modeled by the 2D Burgers equation. While practical quantum advantage remains beyond reach, our results demonstrate that the hybrid solver qualitatively reproduces classical solutions. This work provides valuable insights into quantum CFD for periodic flow problems, highlights key challenges, and lays the groundwork for future research toward solving the Navier-Stokes equations with quantum-assisted methods.
Introduction: Quantum computing has the potential to transform scientific computing by providing efficient algorithms for solving large-scale numerical problems that arise in engineering and materials science. However, integrating quantum algorithms into multiscale mechanics remains largely unexplored due to the complexity of coupling atomistic and continuum models and the nonlinear nature of molecular dynamics. In this work, we develop a unified hybrid classical–quantum framework for molecular dynamics and multiscale materials modeling based on the Variational Quantum Linear Solver (VQLS). Materials and methods: The proposed framework reformulates three representative mechanics problems as quantum-compatible linear systems: static atomistic–continuum coupling through reduced stiffness equations, dynamic atomistic–continuum coupling using a boundary-reduced Berry–Childs–Ostrander–Wang formulation, and nonlinear molecular dynamics through Carleman linearization. These systems are solved using shot-free quantum-circuit simulations within a common VQLS framework. Results: For the static problem with 1024 free displacement degrees of freedom, the VQLS solution achieves R 2 = 0.99784 and a relative L 2 error of 2.70 % . For the dynamic problem, the five-qubit restarted systems produce maximum final-time displacement and velocity differences of 1.39 × 10 − 4 nm and 6.74 × 10 − 5 nm/ps, respectively. For the nonlinear problem, comparison of the six-qubit VQLS trajectory with a high-accuracy integration of the full Lennard–Jones equations over 150 time steps gives maximum displacement and velocity differences of 4.09 × 10 − 4 nm and 2.87 × 10 − 3 nm/ps, respectively. The reported velocities are reconstructed from the displacement histories using a common backward-difference rule with the prescribed zero initial velocity. The numerical comparisons quantify agreement with classical reference trajectories and distinguish selected modeling, temporal-discretization, and variational-solution errors. Conclusions: By providing a unified quantum linear-system formulation for representative multiscale mechanics problems, this deterministic, shot-free, simulator-based study establishes a methodological proof of concept for integrating VQLS formulations with computational materials models, rather than demonstrating near-term hardware performance or scalable quantum computational advantage.
Quantum computing (QC) represents an emerging frontier with significant potential for transformative advancements in Computational Fluid Dynamics (CFD). This potential has been explicitly recognized by the CFD Vision 2030 report, emphasizing the strategic importance of exploring QC for future breakthroughs. Among quantum algorithms relevant to CFD, the Variational Quantum Linear Solver (VQLS) is particularly promising due to its suitability for solving linear and Hamiltonian-based problems, characteristic of fundamental CFD equations such as the pressure-Poisson equation. However, the practical implementation of VQLS for large-scale CFD problems faces critical scalability challenges, most notably the exponential increase in the number of quantum circuit evaluations and the barren plateau phenomenon, which severely hampers trainability and algorithm convergence. In this study, two novel strategies are introduced to address these challenges. First, we utilize a block encoding technique based on efficient oracles, thereby significantly reducing quantum circuit complexity and qubit overhead while accessing system matrix. Second, we incorporate a quantum-inspired evolutionary optimization (QIEO) approach, demonstrating enhanced training efficiency and effectively mitigating the barren plateau issue. These improvements are integrated within a Hybrid Quantum-Classical Method (HQCM) linear solver framework and demonstrated through solving a 2D steady-state heat equation, representative of the pressure-Poisson equations common in incompressible CFD simulations. The proposed methodologies yield promising results, showcasing improved circuit efficiency, enhanced stability during optimization, and accurate numerical solutions. This work lays a foundational step toward realizing practical, scalable quantum-assisted CFD solvers and sets clear pathways for future research aimed at further algorithmic and architectural enhancements.