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To improve the computational efficiencies of the real-space orbital-free density functional theory, this work develops a new single-grid solver by directly providing the closed-form solution to the inner iteration and using an improved…

Computational Physics · Physics 2023-05-16 Ling-Ze Bu , Wei Wang

An efficient direct solver for volume integral equations with O(N) complexity for a broad range of problems is presented. The solver relies on hierarchical compression of the discretized integral operator, and exploits that off-diagonal…

Numerical Analysis · Mathematics 2013-05-16 Eduardo Corona , Per-Gunnar Martinsson , Denis Zorin

Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the wave number, in contrast to the standard equidistant grid,…

Soft Condensed Matter · Physics 2020-12-10 Michele Caraglio , Lukas Schrack , Gerhard Jung , Thomas Franosch

We investigate scaling and efficiency of the deep neural network multigrid method (DNN-MG). DNN-MG is a novel neural network-based technique for the simulation of the Navier-Stokes equations that combines an adaptive geometric multigrid…

Numerical Analysis · Mathematics 2021-06-16 Nils Margenberg , Robert Jendersie , Thomas Richter , Christian Lessig

Multigrid preconditioners and solvers for the indefinite Helmholtz equation suffer from non-stability of the stationary smoothers due to the indefinite spectrum of the operator. In this paper we explore GMRES as a replacement for the…

Numerical Analysis · Computer Science 2015-03-17 Bram Reps , Wim Vanroose , Hisham bin Zubair

We present a generalization of the often-used Crank-Nicolson (CN) method of obtaining numerical solutions of the time-dependent Schr\"odinger equation. The generalization yields numerical solutions accurate to order $(\Delta x)^{2r-1}$ in…

Computational Physics · Physics 2011-11-10 W. van Dijk , F. M. Toyama

We consider the numerical solution of Poisson's equation on structured grids using geometric multigrid with nonstandard coarse grids and coarse level operators. We are motivated by the problem of developing high-order accurate numerical…

Numerical Analysis · Mathematics 2020-08-11 Kamala Liu , William D. Henshaw

We prove the optimal strong convergence rate of a fully discrete scheme, based on a splitting approach, for a stochastic nonlinear Schr\"odinger (NLS) equation. The main novelty of our method lies on the uniform a priori estimate and…

Numerical Analysis · Mathematics 2019-02-25 Jianbo Cui , Jialin Hong , Zhihui Liu , Weien Zhou

We consider the numerical solution of time-dependent space tempered fractional diffusion equations. The use of Crank-Nicolson in time and of second-order accurate tempered weighted and shifted Gr\"unwald difference in space leads to dense…

Numerical Analysis · Mathematics 2022-10-12 D. Ahmad , M. Donatelli , M. Mazza , S. Serra-Capizzano , K. Trotti

We present SuperSCS: a fast and accurate method for solving large-scale convex conic problems. SuperSCS combines the SuperMann algorithmic framework with the Douglas-Rachford splitting which is applied on the homogeneous self-dual embedding…

Optimization and Control · Mathematics 2019-03-18 Pantelis Sopasakis , Krina Menounou , Panagiotis Patrinos

The purpose of the present work is to expand substantially the type of control and estimation problems that can be addressed following the paradigm of Schr\"odinger bridges, by incorporating termination (killing) of stochastic flows.…

Optimization and Control · Mathematics 2024-06-24 Asmaa Eldesoukey , Olga Movilla Miangolarra , Tryphon T. Georgiou

We present the deep neural network multigrid solver (DNN-MG) that we develop for the instationary Navier-Stokes equations. DNN-MG improves computational efficiency using a judicious combination of a geometric multigrid solver and a…

Computational Physics · Physics 2022-01-19 Nils Margenberg , Dirk Hartmann , Christian Lessig , Thomas Richter

An efficient O(N) cluster Monte Carlo method for Ising models with long-range interactions is presented. Our novel algorithm does not introduce any cutoff for interaction range and thus it strictly fulfills the detailed balance. The…

Statistical Mechanics · Physics 2009-11-13 Kouki Fukui , Synge Todo

This paper presents Space-Time MultiGrid (STMG) methods which are suitable for performing topology optimisation of transient heat conduction problems. The proposed methods use a pointwise smoother and uniform Cartesian space-time meshes.…

Computational Engineering, Finance, and Science · Computer Science 2025-05-16 Magnus Appel , Joe Alexandersen

In this work, an efficient blackbox-type multigrid method is proposed for solving multipoint flux approximations of the Darcy problem on logically rectangular grids. The approach is based on a cell-centered multigrid algorithm, which…

Numerical Analysis · Mathematics 2024-02-13 Andrés Arrarás , Francisco J. Gaspar , Laura Portero , Carmen Rodrigo

The Schr\"odinger equation in the presence of an external electromagnetic field is an important problem in computational quantum mechanics. It also provides a nice example of a differential equation whose flow can be split with benefit into…

Numerical Analysis · Mathematics 2016-04-28 Marco Caliari , Alexander Ostermann , Chiara Piazzola

Due to its optimal complexity, the multigrid (MG) method is one of the most popular approaches for solving large-scale linear systems arising from the discretization of partial differential equations. However, the parallel implementation of…

Numerical Analysis · Mathematics 2025-02-27 Hardik Kothari , Maria Giuseppina Chiara Nestola , Marco Favino , Rolf Krause

In this paper, we develop a multigrid method on unstructured shape-regular grids. For a general shape-regular unstructured grid of ${\cal O}(N)$ elements, we present a construction of an auxiliary coarse grid hierarchy on which a geometric…

Numerical Analysis · Mathematics 2014-10-09 Lars Grasedyck , Lu Wang , Jinchao Xu

An initial-boundary value problem for the $n$-dimensional ($n\geq 2$) time-dependent Schr\"odinger equation in a semi-infinite (or infinite) parallelepiped is considered. Starting from the Numerov-Crank-Nicolson finite-difference scheme, we…

Numerical Analysis · Mathematics 2026-01-05 Bernard Ducomet , Alexander Zlotnik , Alla Romanova

We introduce and study a system of coupled nonlocal nonlinear Schr\"odinger equations that interpolates between the mixed, focusing-defocusing Manakov system on one hand and a limiting case of the intermediate nonlinear Schr\"odinger…

Exactly Solvable and Integrable Systems · Physics 2022-12-08 Bjorn K. Berntson , Alexander Fagerlund