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Non-Markovian dynamics is ubiquitous in both quantum and classical systems, but the numerical computation of the time-delay dynamics is demanding. In this work, we propose an efficient quantum algorithm for solving linear distributed delay…

Quantum Physics · Physics 2026-03-19 Wataru Setoyama , Keisuke Fujii

We derive optimal order a posteriori error estimates for fully discrete approximations of linear Schr\"odinger-type equations, in the $L^\infty(L^2)-$norm. For the discretization in time we use the Crank-Nicolson method, while for the space…

Numerical Analysis · Mathematics 2013-04-10 Theodoros Katsaounis , Irene Kyza

Quantum simulation is known to be capable of simulating certain dynamical systems in continuous time -- Schrodinger's equations being the most direct and well-known -- more efficiently than classical simulation. Any linear dynamical system…

Quantum Physics · Physics 2025-04-22 Shi Jin , Nana Liu

In recent years, an increasing attention has been paid to quantum heterostructures with tailored functionalities, such as heterojunctions and quantum matematerials, in which quantum dynamics of electrons can be described by the…

Numerical Analysis · Mathematics 2024-12-20 Jingrun Chen , Dingjiong Ma , Zhiwen Zhang

We study the partial data Calder\'on problem for the anisotropic Schr\"{o}dinger equation \begin{equation} \label{eq: a1} (-\Delta_{\widetilde{g}}+V)u=0\text{ in }\Omega\times (0,\infty), \end{equation} where $\Omega\subset\mathbb{R}^n$ is…

Analysis of PDEs · Mathematics 2024-08-16 Yi-Hsuan Lin , Gen Nakamura , Philipp Zimmermann

We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…

Quantum Physics · Physics 2016-12-06 R. Esteban Goetz , Andrea Simoni , Christiane P. Koch

In this paper, a linearized fully discrete scheme is proposed to solve the two-dimensional nonlinear time fractional Schr\"odinger equation with weakly singular solutions, which is constructed by using L1 scheme for Caputo fractional…

Numerical Analysis · Mathematics 2025-04-15 Jun Ma , Tao Sun , Hu Chen

This paper introduces filtered finite difference methods for numerically solving a dispersive evolution equation with solutions that are highly oscillatory in both space and time. We consider a semiclassically scaled nonlinear Schr\"odinger…

Numerical Analysis · Mathematics 2025-08-20 Yanyan Shi , Christian Lubich

In this paper we introduce a new method for the simulation of a weak solution of the Schr\"odinger-type equation where the potential is piecewise constant and positive. The method, called killing walk on spheres algorithm, combines the…

Numerical Analysis · Mathematics 2015-12-07 Xuxin Yang , Antti Rasila , Tommi Sottinen

We demonstrate a method that merges the quantum filter diagonalization (QFD) approach for hybrid quantum/classical solution of the time-independent electronic Schr\"odinger equation with a low-rank double factorization (DF) approach for the…

Quantum Physics · Physics 2022-03-21 Jeffrey Cohn , Mario Motta , Robert M. Parrish

Over the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In this approach, rather than discretizing the partial…

Numerical Analysis · Mathematics 2024-09-19 Fredrik Fryklund , Leslie Greengard , Shidong Jiang , Samuel Potter

This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr\"odinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit…

Machine Learning · Computer Science 2024-09-19 Elena Orlova , Aleksei Ustimenko , Ruoxi Jiang , Peter Y. Lu , Rebecca Willett

Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…

Computational Physics · Physics 2021-12-21 Michael Scherbela , Rafael Reisenhofer , Leon Gerard , Philipp Marquetand , Philipp Grohs

We present a hybrid numerical-quantum method for solving the Poisson equation under homogeneous Dirichlet boundary conditions, leveraging the Quantum Fourier Transform (QFT) to enhance computational efficiency and reduce time and space…

Numerical Analysis · Mathematics 2025-06-10 G. Intoccia , U. Chirico , G. Pepe , S. Cuomo

Fractional evolution equations lack generally accessible and well-converged codes excepting anomalous diffusion. A particular equation of strong interest to the growing intersection of applied mathematics and quantum information science and…

Quantum Physics · Physics 2024-03-13 Joshua M. Lewis , Lincoln D. Carr

We study the fractional Schr\"odinger equation with quasilocal perturbations. These are a family of nonlocal perturbations vanishing at infinity, which include e.g. convolutions against Schwartz functions. We show that the qualitative…

Analysis of PDEs · Mathematics 2021-10-22 Giovanni Covi

The numerical integration of the Schr\"odinger equation by discretization of time is explored for the curved manifolds arising from finite representations based on evolving basis states. In particular, the unitarity of the evolution is…

Computational Physics · Physics 2021-11-29 Jessica F. K. Halliday , Emilio Artacho

In this paper, we propose a numerical method to approximate the solution of the time-dependent Schr\"odinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral…

Numerical Analysis · Mathematics 2019-05-20 Yuya Suzuki , Dirk Nuyens

We show, in one dimension, that an $hp$-Finite Element Method ($hp$-FEM) discretisation can be solved in optimal complexity because the discretisation has a special sparsity structure that ensures that the reverse Cholesky factorisation…

Numerical Analysis · Mathematics 2025-11-11 Kars Knook , Sheehan Olver , Ioannis P. A. Papadopoulos

We formulate a smoothed-particle hydrodynamics numerical method, traditionally used for the Euler equations for fluid dynamics in the context of astrophysical simulations, to solve the non-linear Schrodinger equation in the Madelung…

Computational Physics · Physics 2016-11-09 Philip Mocz , Sauro Succi