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The use of implicit time-stepping schemes for the numerical approximation of solutions to stiff nonlinear time-evolution equations brings well-known advantages including, typically, better stability behaviour and corresponding support of…

Numerical Analysis · Mathematics 2025-02-14 Tianyu Jin , Georg Maierhofer , Katharina Schratz , Yang Xiang

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

Quantum computing has attracted significant interest in the optimization community because it potentially can solve classes of optimization problems faster than conventional supercomputers. Several researchers proposed quantum computing…

Quantum Physics · Physics 2023-02-14 Mohammadhossein Mohammadisiahroudi , Ramin Fakhimi , Tamás Terlaky

We present quantum algorithms for the estimation of n-time correlation functions, the local and non-local density of states, and dynamical linear response functions. These algorithms are all based on block-encodings - a versatile technique…

Quantum Physics · Physics 2020-08-19 Patrick Rall

Solving complex optimization problems in engineering and the physical sciences requires repetitive computation of multi-dimensional function derivatives. Commonly, this requires computationally-demanding numerical differentiation such as…

Numerical Analysis · Mathematics 2021-05-12 Danny Smyl , Tyler N. Tallman , Dong Liu , Andreas Hauptmann

In this thesis, we investigate whether quantum algorithms can be used in the field of machine learning for both long and near term quantum computers. We will first recall the fundamentals of machine learning and quantum computing and then…

Quantum Physics · Physics 2021-11-08 Jonas Landman

Discretization of non-linear Poisson-Boltzmann Equation equations results in a system of non-linear equations with symmetric Jacobian. The Newton algorithm is the most useful tool for solving non-linear equations. It consists of solving a…

Mathematical Physics · Physics 2007-05-23 Sanjay Kumar Khattri

In this paper, we introduce a quasi-Newton method optimized for efficiently solving quasi-linear elliptic equations and systems, with a specific focus on GPU-based computation. By approximating the Jacobian matrix with a combination of…

Numerical Analysis · Mathematics 2025-03-25 Wenrui Hao , Sun Lee , Xiangxiong Zhang

Quantum computation, a completely different paradigm of computing, benefits from theoretically proven speed-ups for certain problems and opens up the possibility of exactly studying the properties of quantum systems. Yet, because of the…

Finding roots of equations is at the heart of most computational science. A well-known and widely used iterative algorithm is the Newton's method. However, its convergence depends heavily on the initial guess, with poor choices often…

Numerical Analysis · Mathematics 2020-04-09 Ankush Aggarwal , Sanjay Pant

In this work we introduce and analyze a new multiscale method for strongly nonlinear monotone equations in the spirit of the Localized Orthogonal Decomposition. A problem-adapted multiscale space is constructed by solving linear local…

Numerical Analysis · Mathematics 2020-12-16 Barbara Verfürth

We present a quantum algorithm for systems of (possibly inhomogeneous) linear ordinary differential equations with constant coefficients. The algorithm produces a quantum state that is proportional to the solution at a desired final time.…

Quantum Physics · Physics 2017-11-07 Dominic W. Berry , Andrew M. Childs , Aaron Ostrander , Guoming Wang

Along with the development of quantum technology, finding useful applications of quantum computers has been a central pursuit. Despite various quantum algorithms have been developed, many of them often require strong input assumptions,…

Quantum Physics · Physics 2026-02-25 Nhat A. Nghiem

Solving a quadratic nonlinear system of equations (QNSE) is a fundamental, but important, task in nonlinear science. We propose an efficient quantum algorithm for solving $n$-dimensional QNSE. Our algorithm embeds QNSE into a…

Quantum Physics · Physics 2022-10-11 Cheng Xue , Xiao-Fan Xu , Yu-Chun Wu , Guo-Ping Guo

While quantum computers are naturally well-suited to implementing linear operations, it is less clear how to implement nonlinear operations on quantum computers. However, nonlinear subroutines may prove key to a range of applications of…

Quantum Physics · Physics 2023-02-16 Zoë Holmes , Nolan Coble , Andrew T. Sornborger , Yiğit Subaşı

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

In this article we investigate a finite element formulation of strongly monotone quasi-linear elliptic PDEs in the context of fixed-point iterations. As opposed to Newton's method, which requires information from the previous iteration in…

Numerical Analysis · Mathematics 2015-07-01 Scott Congreve , Thomas P. Wihler

In this paper, we present a generic framework to extend existing uniformly optimal convex programming algorithms to solve more general nonlinear, possibly nonconvex, optimization problems. The basic idea is to incorporate a local search…

Optimization and Control · Mathematics 2015-10-27 Saeed Ghadimi , Guanghui Lan , Hongchao Zhang

Running quantum algorithms often involves implementing complex quantum circuits with such a large number of multi-qubit gates that the challenge of tackling practical applications appears daunting. To date, no experiments have successfully…