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In numerical simulations of many charged systems at the micro/nano scale, a common theme is the repeated solution of the Poisson-Boltzmann equation. This task proves challenging, if not entirely infeasible, largely due to the nonlinearity…

Numerical Analysis · Mathematics 2018-08-29 Lijie Ji , Yanlai Chen , Zhenli Xu

We describe a finite-volume method for solving the Poisson equation on oct-tree adaptive meshes using direct solvers for individual mesh blocks. The method is a modified version of the method presented by Huang and Greengard (2000), which…

Astrophysics · Physics 2009-11-13 P. M. Ricker

A new and efficient neural-network and finite-difference hybrid method is developed for solving Poisson equation in a regular domain with jump discontinuities on embedded irregular interfaces. Since the solution has low regularity across…

Numerical Analysis · Mathematics 2023-06-13 Wei-Fan Hu , Te-Sheng Lin , Yu-Hau Tseng , Ming-Chih Lai

The Poisson-Boltzmann model is an effective and popular approach for modeling solvated biomolecules in continuum solvent with dissolved electrolytes. In this paper, we report our recent work in developing a Galerkin boundary integral method…

Computational Physics · Physics 2021-10-27 Jiahui Chen , Johannes Tausch , Weihua Geng

We present a meshfree generalized finite difference method for solving Poisson's equation with a diffusion coefficient that contains jump discontinuities up to several orders of magnitude. To discretize the diffusion operator, we formulate…

Numerical Analysis · Mathematics 2022-09-23 Heinrich Kraus , Jörg Kuhnert , Andreas Meister , Pratik Suchde

Numerical solution of the Poisson equation in metallic enclosures, open at one or more ends, is important in many practical situations such as High Power Microwave (HPM) or photo-cathode devices. It requires imposition of a suitable…

Computational Physics · Physics 2015-10-16 Debabrata Biswas , Gaurav Singh , Raghwendra Kumar

The Poisson-Boltzmann equation (PBE) is an implicit solvent continuum model for calculating the electrostatic potential and energies of ionic solvated biomolecules. However, its numerical solution remains a significant challenge due strong…

Numerical Analysis · Mathematics 2023-06-13 Cleophas Kweyu , Venera Khoromskaia , Boris Khoromskij , Matthias Stein , Peter Benner

An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact…

Chemical Physics · Physics 2023-01-13 Ian Addison-Smith , Horacio V. Guzmán , Christopher D. Cooper

This is the first part of a threefold article, aimed at solving numerically the Poisson problem in three-dimensional prismatic or axisymmetric domains. In this first part, the Fourier Singular Complement Method is introduced and analysed,…

Analysis of PDEs · Mathematics 2007-05-23 Patrick Ciarlet , Beate Jung , Samir Kaddouri , Simon Labrunie , Jun Zou

In this paper, a high-order exponential scheme is developed to solve the 1D unsteady convection-diffusion equation with Neumann boundary conditions. The present method applies fourth-order compact exponential difference scheme in spatial…

Fluid Dynamics · Physics 2018-05-16 Yucheng Fu , Zhenfu Tian , Yang Liu

The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…

Numerical Analysis · Mathematics 2021-08-25 Stefan D. Search , Christopher D. Cooper , Elwin van't Wout

In this paper, we study the biharmonic equation with the Navier boundary conditions in a polygonal domain. In particular, we propose a method that effectively decouples the 4th-order problem into a system of Poisson equations. Different…

Numerical Analysis · Mathematics 2020-12-24 Hengguang Li , Peimeng Yin , Zhimin Zhang

We introduce a neural-preconditioned iterative solver for Poisson equations with mixed boundary conditions. Typical Poisson discretizations yield large, ill-conditioned linear systems. Iterative solvers can be effective for these problems,…

Numerical Analysis · Mathematics 2025-12-16 Kai Weixian Lan , Elias Gueidon , Ayano Kaneda , Julian Panetta , Joseph Teran

Nonlinear elliptic problems arise in many fields, including plasma physics, astrophysics, and optimal transport. In this article, we propose a novel operator-splitting/finite element method for solving such problems. We begin by introducing…

Numerical Analysis · Mathematics 2025-09-12 Jingyu Yang , Shingyu Leung , Jianliang Qian , Hao Liu

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…

Materials Science · Physics 2016-01-20 G. Fisicaro , L. Genovese , O. Andreussi , N. Marzari , S. Goedecker

In recent work, Li et al.\ (Comm.\ Math.\ Sci., 7:81-107, 2009) developed a diffuse-domain method (DDM) for solving partial differential equations in complex, dynamic geometries with Dirichlet, Neumann, and Robin boundary conditions. The…

Numerical Analysis · Mathematics 2015-05-18 Karl Yngve Lervåg , John Lowengrub

We present a new finite element method, called $\phi$-FEM, to solve numerically elliptic partial differential equations with natural (Neumann or Robin) boundary conditions using simple computational grids, not fitted to the boundary of the…

Numerical Analysis · Mathematics 2020-12-08 Michel Duprez , Vanessa Lleras , Alexei Lozinski

We present direct logarithmically optimal in theory and fast in practice algorithms to implement the tensor product high order finite element method on multi-dimensional rectangular parallelepipeds for solving PDEs of the Poisson kind. They…

Numerical Analysis · Mathematics 2026-01-05 Alexander Zlotnik , Ilya Zlotnik

In this paper, we present a fast and effective method for solving the Poisson-modified total variation model proposed in [9]. The existence and uniqueness of the model are again proved using different method. A semi-implicit difference…

Optimization and Control · Mathematics 2017-04-05 Wei Wang , Chuanjiang He

This work consists in the asymptotic analysis of the solution of Poisson equation in a bounded domain of $\mathbb{R}^{P}$ $(P=2,3)$ with a thin layer. We use a method based on hierarchical variational equations to derive asymptotic…

Analysis of PDEs · Mathematics 2014-01-14 Khaled El-Ghaouti Boutarene