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Combustion Theory and Modelling

Quantum algorithm for the computation of the reactant conversion rate in homogeneous turbulence

Guanglei Xu, Andrew J. Daley, Peyman Givi, Rolando D. Somma

Published Jun 18, 2019• 18 citations
Publisher

Abstract

The rapid developments that have occurred in quantum computing platforms over the past few years raise important questions about the potential for applications of this new type of technology to fluid dynamics and combustion problems, and the timescales on which such applications might be possible. As a concrete example, here a quantum algorithm is developed and employed for predicting the rate of reactant conversion in the binary reaction of F+rO→(1+r) Product in non-premixed homogeneous turbulence. These relations are obtained by means of a transported probability density function equation. The quantum algorithm is developed to solve this equation and is shown to yield the rate of the reactants' conversion much more efficiently than current classical methods, achieving a quadratic quantum speedup, in line with expectations for speedups arising from quantum metrology techniques more broadly. This provides an important example of a quantum algorithm with a real engineering application, which can build a connection to present work in turbulent combustion modelling and form the basis for further development of quantum computing platforms and their applications to fluid dynamics.

DOI
10.1080/13647830.2019.1626025

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The rapid developments that have occurred in quantum computing platforms over the past few years raise important questions about the potential for applications of this new type of technology to fluid dynamics and combustion problems, and the timescales on which such applications might be possible. As a concrete example, here a quantum algorithm is developed and employed for predicting the rate of reactant conversion in the binary reaction of F+rO→(1+r) Product in non-premixed homogeneous turbulence. These relations are obtained by means of a transported probability density function equation. The quantum algorithm is developed to solve this equation and is shown to yield the rate of the reactants' conversion much more efficiently than current classical methods, achieving a quadratic quantum speedup, in line with expectations for speedups arising from quantum metrology techniques more broadly. This provides an important example of a quantum algorithm with a real engineering application, which can build a connection to present work in turbulent combustion modelling and form the basis for further development of quantum computing platforms and their applications to fluid dynamics.
Probability density function (PDF) methods have been very useful in describing many physical aspects of turbulent mixing. In applications of these methods, modeled PDF transport equations are commonly simulated via classical Monte Carlo techniques, which provide estimates of moments of the PDF at arbitrary accuracy. In this work, recently developed techniques in quantum computing and quantum enhanced measurements (quantum metrology) are used to construct a quantum algorithm that accelerates the computation of such estimates. This quantum algorithm provides a quadratic speedup over classical Monte Carlo methods in terms of the number of repetitions needed to achieve the desired precision. This paper illustrates the power of this algorithm by considering a binary scalar mixing process modeled by means of the coalescence/dispersion (C/D) closure. The equation is first simulated using classical Monte Carlo methods, where error estimates for the computation of central moments are provided. Then the quantum algorithm for this problem is simulated by sampling from the same probability distribution as that of the output of a quantum computer, and it is shown that significantly fewer resources are required to achieve the same precision. The results demonstrate potential applications of future quantum computers for simulation of turbulent mixing, and large classes of related problems.
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required hardware but also in identifying the most promising application areas and developing the corresponding quantum algorithms. The availability of intermediate-scale noisy quantum computers is now propelling the developments of novel algorithms, with applications across a variety of domains, including in aeroscience. Variational quantum algorithms are particularly promising because they are comparatively noise tolerant and aim to achieve a quantum advantage with only a few hundred qubits. Furthermore, they are applicable to a wide range of optimization problems arising throughout the natural sciences and industry. To demonstrate the possibilities for the aeroscience community, we give a perspective on how variational quantum algorithms can be used in computational fluid dynamics. We discuss how classical problems are translated into quantum algorithms and their logarithmic scaling with problem size. For an explicit example, we apply this method to Burgers’s equation in one spatial dimension. We argue that a quantum advantage over classical computing methods could be achieved by the end of this decade if quantum hardware progresses as currently envisaged and emphasize the importance of joining up development of quantum algorithms with application-specific expertise to achieve a real-world impact.
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required hardware, but also in identifying the most promising application areas and developing the corresponding quantum algorithms. The availability of intermediate-scale noisy quantum computers is now propelling the developments of novel algorithms, with applications across a variety of domains, including in aeroscience. Variational quantum algorithms are particularly promising since they are comparatively noise tolerant and aim to achieve a quantum advantage with only a few hundred qubits. Furthermore, they are applicable to a wide range of optimization problems arising throughout the natural sciences and industry. To demonstrate the possibilities for the aeroscience community, we give a perspective on how variational quantum algorithms can be utilized in computational fluid dynamics. We discuss how classical problems are translated into quantum algorithms and their logarithmic scaling with problem size. As an explicit example we apply this method to Burgers' Equation in one spatial dimension. We argue that a quantum advantage over classical computing methods could be achieved by the end of this decade if quantum hardware progresses as currently envisaged and emphasize the importance of joining up development of quantum algorithms with application-specific expertise to achieve real-world impact.
In recent years, significant progress has been made in the development of quantum algorithms for linear ordinary differential equations as well as linear partial differential equations. There has not been similar progress in the development of quantum algorithms for nonlinear differential equations. In the present work, the focus is on nonlinear partial differential equations arising as governing equations in fluid mechanics. First, the key challenges related to nonlinear equations in the context of quantum computing are discussed. Then, as the main contribution of this work, quantum circuits are presented that represent the nonlinear convection terms in the Navier–Stokes equations. The quantum algorithms introduced use encoding in the computational basis, and employ arithmetic based on the Quantum Fourier Transform. Furthermore, a floating-point type data representation is used instead of the fixed-point representation typically employed in quantum algorithms. A complexity analysis shows that even with the limited number of qubits available on current and near-term quantum computers (<100), nonlinear product terms can be computed with good accuracy. The importance of including sub-normal numbers in the floating-point quantum arithmetic is demonstrated for a representative example problem. Further development steps required to embed the introduced algorithms into larger-scale algorithms are discussed.
This document is meant to review and discuss the possible applications of Quantum computing to computational fluid dynamics (CFD) problems.A review of the current state-of-the-art of quantum computing applied to computational fluid dynamics has been carried out, highlining how the technology is still in an early stage of development but very promising.Quantum computing is a type of computation that harnesses the collective properties of quantum states, such as superposition, interference, and entanglement, to perform calculations.The devices that perform quantum computations are known as quantum computers.Quantum Computing is currently a very active field of study and development, with expected applications in various fields, including engineering problems.Indeed, several approaches have been proposed for the solutions of CFD problems with the use of quantum algorithms and / or quantum computers.Possible approaches, applicable to compact heat exchangers used in aeronautics, include the development of quantum algorithms, e.g., based on the solutions of Navier Stokes equations or the Lattice Boltzmann Method., the design of an "analog" quantum computer able to mimic the thermal fluid system under investigation, and, finally, the implementation of a scientific machine learning approach.
Simulating fluid dynamics on a quantum computer is intrinsically difficult due to the nonlinear and non-Hamiltonian nature of the Navier-Stokes equation (NSE). We propose a framework for quantum computing of fluid dynamics based on the hydrodynamic Schr\"odinger equation (HSE), which can be promising in simulating three-dimensional turbulent flows in various engineering applications. The HSE is derived by generalizing the Madelung transform to compressible or incompressible flows with finite vorticity and dissipation. Since the HSE is expressed as a unitary operator on a two-component wave function, it is more suitable than the NSE for quantum computing. The flow governed by the HSE can resemble a turbulent flow consisting of tangled vortex tubes with the five-thirds scaling of energy spectrum. We develop a prediction-correction quantum algorithm to solve the HSE. This algorithm is implemented for simple flows on the quantum simulator Qiskit with partial exponential speedup.