This paper explores the feasibility of quantum simulation for partial differential equations (PDEs) with physical boundary or interface conditions. Semi-discretisation of such problems does not necessarily yield Hamiltonian dynamics and even alters the Hamiltonian structure of the dynamics when boundary and interface conditions are included. This seemingly intractable issue can be resolved by using a recently introduced Schrödingerisation method (Jin et al. 2022) -- it converts any linear PDEs and ODEs with non-Hermitian dynamics to a system of Schrödinger equations, via the so-called warped phase transformation that maps the equation into one higher dimension. We implement this method for several typical problems, including the linear convection equation with inflow boundary conditions and the heat equation with Dirichlet and Neumann boundary conditions. For interface problems, we study the (parabolic) Stefan problem, linear convection, and linear Liouville equations with discontinuous and even measure-valued coefficients. We perform numerical experiments to demonstrate the validity of this approach, which helps to bridge the gap between available quantum algorithms and computational models for classical and quantum dynamics with boundary and interface conditions.
This paper explores the feasibility of quantum simulation for partial differential equations (PDEs) with physical boundary or interface conditions. Semi-discretisation of such problems does not necessarily yield Hamiltonian dynamics and even alters the Hamiltonian structure of the dynamics when boundary and interface conditions are included. This seemingly intractable issue can be resolved by using a recently introduced Schrödingerisation method (Jin et al. 2022) -- it converts any linear PDEs and ODEs with non-Hermitian dynamics to a system of Schrödinger equations, via the so-called warped phase transformation that maps the equation into one higher dimension. We implement this method for several typical problems, including the linear convection equation with inflow boundary conditions and the heat equation with Dirichlet and Neumann boundary conditions. For interface problems, we study the (parabolic) Stefan problem, linear convection, and linear Liouville equations with discontinuous and even measure-valued coefficients. We perform numerical experiments to demonstrate the validity of this approach, which helps to bridge the gap between available quantum algorithms and computational models for classical and quantum dynamics with boundary and interface conditions.
Abstract. Quantum dynamics, typically expressed in the form of a time-dependent Schrödinger equation with a Hermitian Hamiltonian, is a natural application for quantum computing. However, when simulating quantum dynamics that involves the emission of electrons, it is necessary to use artificial boundary conditions (ABCs) to confine the computation within a fixed domain. The introduction of ABCs alters the Hamiltonian structure of the dynamics, and existing quantum algorithms cannot be directly applied since the evolution is no longer unitary. The current paper utilizes a recently introduced Schrödingerization method that converts non-Hermitian dynamics into a Schrödinger form for the artificial boundary problems [S. Jin, N. Liu, and Y. Yu, Quantum Simulation of Partial Differential Equations via Schrödingerisation, preprint, arXiv:2212.13969 , 2022], [S. Jin, N. Liu, and Y. Yu, Phys. Rev. A, 108 (2023), 032603]. We implement this method for three types of ABCs, including the complex absorbing potential technique, perfectly matched layer methods, and Dirichlet-to-Neumann approach. We analyze the query complexity of these algorithms and perform numerical experiments to demonstrate the validity of this approach. This helps to bridge the gap between available quantum algorithms and computational models for quantum dynamics in unbounded domains.
We study a recently introduced simple method [S. Jin, N. Liu, and Y. Yu, Quantum simulation of partial differential equations via Schr\"odingerisation, arXiv:2212.13969] for solving general linear partial differential equations with quantum simulation. This method converts linear partial differential equations into a Hamiltonian system, using a simple transformation called the warped phase transformation. Here we provide a more-in-depth technical discussion and expand on this approach in a more detailed and pedagogical way. We apply this to examples of partial differential equations, including heat, convection, Fokker-Planck, linear Boltzmann, and Black-Scholes equations. This approach can also be extended to general linear partial differential equations, including the Vlasov-Fokker-Planck equation and the Liouville representation equation for nonlinear ordinary differential equations. Extension to higher-order time derivatives is also possible.
We introduce a simple and stable computational method for ill-posed partial differential equation (PDE) problems. The method is based on Schrödingerization, introduced in [S. Jin, N. Liu and Y. Yu, arXiv:2212.13969][S. Jin, N. Liu and Y. Yu, Phys. Rev. A, 108 (2023), 032603], which maps all linear PDEs into Schrödinger-type equations in one higher dimension, for quantum simulations of these PDEs. Although the original problem is ill-posed, the Schrödingerized equations are Hamiltonian systems and time-reversible, allowing stable computation both forward and backward in time. The original variable can be recovered by data from suitably chosen domain in the extended dimension. We will use the backward heat equation and the linear convection equation with imaginary wave speed as examples. Error analysis of these algorithms are conducted and verified numerically. The methods are applicable to both classical and quantum computers, and we also lay out quantum algorithms for these methods. Moreover, we introduce a smooth initialization for the Schrödingerized equation which will lead to essentially spectral accuracy for the approximation in the extended space, if a spectral method is used. Consequently, the extra qubits needed due to the extra dimension, if a qubit based quantum algorithm is used, for both well-posed and ill-posed problems, becomes almost loglog1/ε where ε is the desired precision. This optimizes the complexity of the Schrödingerization based quantum algorithms for any non-unitary dynamical system introduced in [S. Jin, N. Liu and Y. Yu, arXiv:2212.13969][S. Jin, N. Liu and Y. Yu, Phys. Rev. A, 108 (2023), 032603].
This paper studies a quantum simulation technique for solving the Fokker-Planck equation. Traditional semi-discretization methods often fail to preserve the underlying Hamiltonian dynamics and may even modify the Hamiltonian structure, particularly when incorporating boundary conditions. We address this challenge by employing the Schrödingerization method – it converts any linear partial and ordinary differential equation with non-Hermitian dynamics into systems of Schrödinger-type equations. It does so via the so-called warped phase transformation that maps the equation into one higher dimension. We explore the application in two distinct forms of the Fokker-Planck equation. For the conservation form, we show that the semi-discretization-based Schrödingerization is preferable, especially when dealing with non-periodic boundary conditions. Additionally, we analyze the Schrödingerization approach for unstable systems that possess positive eigenvalues in the real part of the coefficient matrix or differential operator. Our analysis reveals that the direct use of Schrödingerization has the same effect as a stabilization procedure. For the heat equation form, we propose a quantum simulation procedure based on the time-splitting technique, and give explicitly its corresponding quantum circuit. We discuss the relationship between operator splitting in the Schrödingerization method and its application directly to the original problem, illustrating how the Schrödingerization method accurately reproduces the time-splitting solutions at each step. Furthermore, we explore finite difference discretizations of the heat equation form using shift operators. Utilizing Fourier bases, we diagonalize the shift operators, enabling efficient simulation in the frequency space. Providing additional guidance on implementing the diagonal unitary operators, we conduct a comparative analysis between diagonalizations in the Bell and the Fourier bases, and show that the former generally exhibits greater efficiency than the latter.
In this paper, we present quantum algorithms for a class of highly-oscillatory transport equations, which arise in semi-classical computation of surface hopping problems and other related non-adiabatic quantum dynamics, based on the Born-Oppenheimer approximation. Our method relies on the classical nonlinear geometric optics method, and the recently developed Schrödingerisation approach for quantum simulation of partial differential equations. The Schrödingerisation technique can transform any linear ordinary and partial differential equations into Hamiltonian systems evolving under unitary dynamics, via a warped phase transformation that maps these equations to one higher dimension. We study possible paths for better recoveries of the solution to the original problem by shifting the bad eigenvalues in the Schrödingerized system. Our method ensures the uniform error estimates independent of the wave length, thus allowing numerical accuracy, in maximum norm, even without numerically resolving the physical oscillations. Various numerical experiments are performed to demonstrate the validity of this approach.
We present a novel new way-called Schrödingerization-to simulate general (quantum and nonquantum) systems of linear ordinary and partial differential equations (PDEs) via quantum simulation. We introduce a new transform, referred to as the warped phase transformation, where any linear-including nonautonamous-system of ordinary or partial differential equation can be recast into a system of Schrödinger's equations, in real time, in a straightforward way. This approach is not only applicable to PDEs for classical problems but is also useful for quantum problems, including the preparation of quantum ground states and Gibbs thermal states, the simulation of quantum states in random media in the semiclassical limit, simulation of Schrödinger's equation in a bounded domain with artificial boundary conditions, and other non-Hermitian physics. This formulation is versatile enough to be applicable in a simple way to both digital quantum simulation as well as to analog quantum simulation, and using either qubits or continuous-variable quantum systems (qumodes).