Related papers: A fast spectral method for electrostatics in doubl…
We propose a decomposition method for the spectral peaks in an observed frequency spectrum, which is efficiently acquired by utilizing the Fast Fourier Transform. In contrast to the traditional methods of waveform fitting on the spectrum,…
We present a spectrally accurate, efficient FFT-based method for the three-dimensional free-space Poisson equation with smooth, compactly supported sources. The method adopts a super-potential formulation: we first compute the convolution…
In this paper we present a novel fast method to solve Poisson equation in an arbitrary two dimensional region with Neumann boundary condition. The basic idea is to solve the original Poisson problem by a two-step procedure: the first one…
A hybrid Schwarz/multigrid method for spectral element solvers to the Poisson equation in $\mathbb R^2$ is presented. It extends the additive Schwarz method studied by J. Lottes and P. Fischer (J. Sci. Comput. 24:45--78, 2005) by…
We propose a novel and simple spectral method based on the semi-discrete Fourier transforms to discretize the fractional Laplacian $(-\Delta)^\frac{\alpha}{2}$. Numerical analysis and experiments are provided to study its performance. Our…
We solve by Chebyshev spectral collocation some genuinely nonlinear Liouville-Bratu-Gelfand type, 1D and a 2D boundary value problems. The problems are formulated on the square domain $[-1, 1]\times[-1, 1]$ and the boundary condition…
We present two methods for solving the electrostatics of point charges and multipoles on the surface of a sphere, \textit{i.e.} in the space $\mathcal{S}_{2}$, with applications to numerical simulations of two-dimensional polar fluids. In…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
This paper presents a robust numerical solution to the electromagnetic scattering problem involving multiple multi-layered cavities in both transverse magnetic and electric polarizations. A transparent boundary condition is introduced at…
We utilize the domain integral equation formulation to simulate two-dimensional transverse electric scattering in a homogeneous medium and a summation of modulated Gaussian functions to approximate the dual Gabor window. Then we apply Ewald…
We present a simple and efficient technique in ab initio electronic-structure calculation utilizing real-space double-grid with a high density of grid points in the vicinity of nuclei. This technique promises to greatly reduce the overhead…
In this paper, we present an efficient numerical algorithm for solving the time-dependent Cahn--Hilliard--Navier--Stokes equations that model the flow of two phases with different densities. The pressure-correction step in the projection…
We propose a new method to sum up electrostatic interactions in 2D slab geometries. It consists of a combination of two recently proposed methods, the 3D Ewald variant of Yeh and Berkowitz, J. Chem. Phys. 111 (1999) 3155, and the purely 2D…
We present a new numerical method for accurate computations of solutions to (linear) one dimensional Schr\"odinger equations with periodic potentials. This is a prominent model in solid state physics where we also allow for perturbations by…
This work introduces efficient and accurate spectral solvers for nonlocal equations on bounded domains. These spectral solvers exploit the fact that integration in the nonlocal formulation transforms into multiplication in Fourier space and…
We develop a method of stochastic differential equation to simulate electron acceleration at astrophysical shocks. Our method is based on It\^{o}'s stochastic differential equations coupled with a particle splitting, employing a skew…
Based upon elements of the modern Pseudoanalytic Function Theory, we analyse a new method for numerically approaching the solution of the Dirichlet boundary value problem, corresponding to the two-dimensional Electrical Impedance Equation.…
In a continuum model of the solvation of charged molecules in an aqueous solvent, the classical Poisson-Boltzmann (PB) theory is generalized to include the solute point charges and the dielectric boundary that separates the high-dielectric…
The goal of the present work is to solve a linear dispersive equation with variable coefficient advection on an unbounded domain. In this setting, transparent boundary conditions are vital to allow waves to leave (or even re-enter) the,…