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This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary integral methods for these problems. One aspect of the…

chem-ph · Physics 2008-02-03 L. R. Pratt , G. J. Tawa , G. Hummer , A. E. Garcia , S. A. Corcelli

Multiscale methods for second order elliptic equations based on non-overlapping domain decomposition schemes have great potential to take advantage of multi-core, state-of-the-art parallel computers. These methods typically involve solving…

Numerical Analysis · Mathematics 2020-09-18 E. Abreu , P. Ferraz , A. M. Espírito Santo , F. Pereira , L. G. C. Santos , F. S. Sousa

The Poisson equation has wide applications in many areas of science and engineering. Although there are some quantum algorithms that can efficiently solve the Poisson equation, they generally require a fault-tolerant quantum computer which…

Quantum Physics · Physics 2021-08-25 Hailing Liu , Yusen Wu , Linchun Wan , Shijie Pan , Sujuan Qin , Fei Gao , Qiaoyan Wen

We analyze a hybrid method that enriches coarse grid finite element solutions with fine scale fluctuations obtained from a neural network. The idea stems from the Deep Neural Network Multigrid Solver (DNN-MG), (Margenberg et al., J Comput…

Numerical Analysis · Mathematics 2023-10-18 Uladzislau Kapustsin , Utku Kaya , Thomas Richter

We propose a novel model to obtain the subgrid-scale velocity in the context of large-eddy simulation (LES) of particle-laden turbulent flows, to recover accurate particle statistics. In the new wavelet enrichment model, the subgrid-scale…

Fluid Dynamics · Physics 2023-10-26 Max Hausmann , Fabien Evrard , Berend van Wachem

We discuss the ill conditioning of the matrix for the discretised Poisson equation in the small aspect ratio limit, and motivate this problem in the context of nonhydrostatic ocean modelling. Efficient iterative solvers for the Poisson…

Numerical Analysis · Mathematics 2015-05-14 S. C. Kramer , C. J. Cotter , C. C. Pain

In this paper, a novel multigrid method based on Newton iteration is proposed to solve nonlinear eigenvalue problems. Instead of handling the eigenvalue $\lambda$ and eigenfunction $u$ separately, we treat the eigenpair $(\lambda, u)$ as…

Numerical Analysis · Mathematics 2024-04-30 Fei Xu , Manting Xie , Meiling Yue

The Multilevel Monte Carlo method is an efficient variance reduction technique. It uses a sequence of coarse approximations to reduce the computational cost in uncertainty quantification applications. The method is nowadays often considered…

Numerical Analysis · Mathematics 2018-06-15 Pieterjan Robbe , Dirk Nuyens , Stefan Vandewalle

We consider stopping criteria that balance algebraic and discretization errors for the conjugate gradient algorithm applied to high-order finite element discretizations of Poisson problems. Firstly, we introduce a new stopping criterion…

Numerical Analysis · Mathematics 2024-08-06 Yichen Guo , Eric de Sturler , Tim Warburton

We study the convergence of multigrid schemes for the Helmholtz equation, focusing in particular on the choice of the coarse scale operators. Let G_c denote the number of points per wavelength at the coarse level. If the coarse scale…

Numerical Analysis · Mathematics 2015-01-08 Christiaan C. Stolk , Mostak Ahmed , Samir K. Bhowmik

This paper introduces the basic concepts for physics-compatible discretization techniques. The paper gives a clear distinction between vectors and forms. Based on the difference between forms and pseudo-forms and the $\star$-operator which…

Numerical Analysis · Mathematics 2015-05-14 Artur Palha , Pedro Pinto Rebelo , René Hiemstra , Jasper Kreeft , Marc Gerritsma

We have developed an adaptive multigrid code for solving the Poisson equation in gravitational simulations. Finer rectangular subgrids are adaptively created in locations where the density exceeds a local level-dependent threshold. We…

Astrophysics · Physics 2015-06-24 I. Suisalu , E. Saar

The simulation of high-dimensional problems with manageable computational resource represents a long-standing challenge. In a series of our recent work [25, 17, 18, 24], a class of sparse grid DG methods has been formulated for solving…

Numerical Analysis · Mathematics 2019-06-27 Wei Guo

The speed of sound in two-phase pipe flow systems is often several orders of magnitude greater than the travelling speed of hydraulic information (volume fractions.) Dynamically simulating such flows requires resolution of acoustic and…

Computational Physics · Physics 2018-11-30 Andreas Holm Akselsen

As part of the development of a Poisson solver for the spectral element discretization used in the GeoFluid Object Workbench (GeoFLOW) code, we propose a solver for the linear system arising from a Gauss-Legendre-Lobatto global spectral…

Numerical Analysis · Mathematics 2025-06-03 José Pablo Lucero Lorca , Duane Rosenberg , Isidora Jankov , Conor McCoid , Martin Jakob Gander

In this paper we propose a new adaptive wavelet denoising methodology using complex wavelets. The method is based on a fully Bayesian hierarchical model in the complex wavelet domain that uses a bivariate mixture prior on the wavelet…

Methodology · Statistics 2018-03-08 Norbert Reményi , Brani Vidakovic

Minimizing computational cost is one of the major challenges in the modelling and numerical analysis of hydrodynamics, and one of the ways to achieve this is by the use of quadtree grids. In this paper, we present an adaptive scheme on…

Numerical Analysis · Mathematics 2020-08-06 Mohammad A. Ghazizadeh , Abdolmajid Mohammadian

An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring…

Strongly Correlated Electrons · Physics 2009-11-11 Sandro Sorella

We propose a simple and efficient one-way multigrid method for self-consistent electronic structure calculations based on iterative diagonalization. Total energy calculations are performed on several different levels of grids starting from…

Computational Physics · Physics 2016-01-01 In-Ho Lee , Yong-Hoon Kim , Richard Martin

The subject of this paper is multigrid solvers for Helmholtz operators with large wave numbers. Algorithms presented here are variations of the wave-ray solver which is modified to allow efficient solutions for operators with constant,…

Numerical Analysis · Mathematics 2013-12-11 Ira Livshits