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An efficient algorithm for solving Poisson's equation in two and three spatial dimensions is discussed. The algorithm, which is described in detail, is based on the integral form of Poisson's equation and utilizes spherical coordinates and…
This article describes Monte-Carlo algorithms for charged systems using constrained updates for the electric field. The method is generalized to treat inhomogeneous dielectric media, electrolytes via the Poisson-Boltzmann equation and…
Two methods of level set type are proposed for solving the Cauchy problem for an elliptic equation. Convergence and stability results for both methods are proven, characterizing the iterative methods as regularization methods for this…
Reciprocal space methods for solving Poisson's equation for finite charge distributions are investigated. Improvements to previous proposals are presented, and their performance is compared in the context of a real-space density functional…
A common approach for generating an anisotropic mesh is the M-uniform mesh approach where an adaptive mesh is generated as a uniform one in the metric specified by a given tensor M. A key component is the determination of an appropriate…
Iterative methods for solving large sparse systems of linear equations are widely used in many HPC applications. Extreme scaling of these methods can be difficult, however, since global communication to form dot products is typically…
We present a linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. The resulting method is systematically improvable and well suited to large-scale quantum mechanical calculations in which…
We study the two-dimensional hierarchical rectangle packing problem, motivated by applications in analog integrated circuit layout, facility layout, and logistics. Unlike classical strip or bin packing, the dimensions of the container are…
Meshless methods are used to solve partial differential equations by approximating differential operators at a node as a weighted sum of values at its neighbours. One of the algorithms for generating nodes suitable for meshless numerical…
We introduce a finite element method for numerical upscaling of second order elliptic equations with highly heterogeneous coefficients. The method is based on a mixed formulation of the problem and the concepts of the domain decomposition…
We devise a Hybrid High-Order (HHO) method for highly oscillatory elliptic problems that is capable of handling general meshes. The method hinges on discrete unknowns that are polynomials attached to the faces and cells of a coarse mesh;…
The paper suggests a preconditioning type method for fast solving of elliptic equations with oscillating quasiperiodic coefficients $A_\epsilon$ specified by the small parameter $\epsilon>0$. We use an iteration method generated by an…
In power system dynamic simulation, up to 90% of the computational time is devoted to solve the network equations, i.e., a set of linear equations. Traditional approaches are based on sparse LU factorization, which is inherently sequential.…
A solver for the Poisson equation for 1D, 2D and 3D regular grids is presented. The solver applies the convolution theorem in order to efficiently solve the Poisson equation in spectral space over a rectangular computational domain.…
A finite element methodology for large classes of variational boundary value problems is defined which involves discretizing two linear operators: (1) the differential operator defining the spatial boundary value problem; and (2) a Riesz…
Electrostatics is of paramount importance to chemistry, physics, biology, and medicine. The Poisson-Boltzmann (PB) theory is a primary model for electrostatic analysis. However, it is highly challenging to compute accurate PB electrostatic…
In this paper, we introduce a type of tensor neural network based machine learning method to solve elliptic multiscale problems. Based on the special structure, we can do the direct and highly accurate high dimensional integrations for the…
This paper presents a simple and effective new numerical scheme for the computation of electrostatic fields exterior to a collection of close-to-touching discs. The method is presented in detail for the two-cylinder case. The key idea is to…
It is shown how various ideas that are well established for the solution of Poisson's equation using plane wave and multigrid methods can be combined with wavelet concepts. The combination of wavelet concepts and multigrid techniques turns…
Hazard and Operability Analysis (HAZOP) is a powerful safety analysis technique with a long history in industrial process control domain. With the increasing use of Machine Learning (ML) components in cyber physical systems--so called…