Related papers: Solution of Poisson's equation for finite systems …
In this paper, we construct a semi-implicit finite difference method for the time dependent Poisson-Nernst-Planck system. Although the Poisson-Nernst-Planck system is a nonlinear system, the numerical method presented in this paper only…
The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…
For the finite element solution of Poisson's equation, a local a posteriori error estimation based on the Hypercircle method is proposed. Even for the solution of Poisson's equation without the $H^2$ regularity, this method can provide…
A macroscopic model to describe the dynamics of ion transport in ion channels is the Poisson-Nernst-Planck(PNP) equations. In this paper, we develop a finite-difference method for solving PNP equations, which is second-order accurate in…
First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work proposes novel second-order discretization in time and finite…
The method of Morse theory is used to analyze the distributions of unit charges interacting through a repulsive force and constrained to move on the surface of a sphere -- the Thomson problem. We find that, due to topological reasons, the…
A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…
In this paper, we propose and analyze a high-order finite volume method for the Poisson problem based on the reduced discontinuous Galerkin (RDG) space. The main idea is to employ the RDG space as the trial space and the piecewise constant…
We develop a numerical strategy to solve multi-dimensional Poisson equations on dynamically adapted grids for evolutionary problems disclosing propagating fronts. The method is an extension of the multiresolution finite volume scheme used…
We present an efficient numerical method, inspired by transformation optics, for solving the Poisson equation in complex and arbitrarily shaped geometries. The approach operates by mapping the physical domain to a uniform computational…
A method for solving a quasilinear nonelliptical equation of the second order is developed and we give classification and parametrization of simple elements of the equation.We find exact solutions of an equation for potential stationary…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
In this paper, we develop Hamiltonian particle-in-cell methods for Vlasov-Maxwell equations by applying conforming finite element methods in space and splitting methods in time. For the spatial discretisation, the criteria for choosing…
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…
We propose a generalized finite element method for the strongly damped wave equation with highly varying coefficients. The proposed method is based on the localized orthogonal decomposition introduced and is designed to handle independent…
The very weak solution of the Poisson equation with $L^2$ boundary data is defined by the method of transposition. The finite element solution with regularized boundary data converges with order $1/2$ in convex domains but has a reduced…
We design a variational quantum algorithm to solve multi-dimensional Poisson equations with mixed boundary conditions that are typically required in various fields of computational science. Employing an objective function that is formulated…
We present an extension to the Poisson-Boltzmann model where the dipolar features of solvent molecules are taken explicitly into account. The formulation is derived at mean-field level and can be extended to any order in a systematic…
The Coulomb problem for continuous charge distributions is a central problem in physics. Powerful methods, that scale linearly with system size and that allow us to use different resolutions in different regions of space are therefore…
In this paper, we study the biharmonic equation with Dirichlet boundary conditions in a polygonal domain. In particular, we propose a method that effectively decouples the fourth-order problem into a system of two Poison equations and one…