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November 19, 2014
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PublicationOver the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In …
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PublicationEfficient Monte Carlo (MC) sampling of many-body systems with long-range electrostatics is often limited by the cost of per-move energy-difference evaluation under periodic boundary …
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PublicationWe present an NPT extension of Ewald summation with prolates (ESP), a spectrally accurate and scalable particle-mesh method for molecular dynamics simulations of periodic, charged systems. Building …
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PublicationWe present a family of integral equation-based solvers for the heat equation, reaction-diffusion systems, the unsteady Stokes equation and the incompressible Navier-Stokes equations in two …
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PublicationA numerical scheme is presented for solving the Helmholtz equation with Dirichlet or Neumann boundary conditions on piecewise smooth open curves, where the curves may have corners and …
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PublicationWe generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially …
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PublicationClassical Ewald methods for Coulomb and Stokes interactions rely on ``kernel-splitting," using decompositions based on Gaussians to divide the resulting potential into a near field and a …
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PublicationWe analyze and develop numerical methods for time-harmonic wave scattering in metallic waveguide structures of infinite extent. We show that radiation boundary conditions formulated via projectors onto …
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PublicationThe quasi-2D electrostatic systems, characterized by periodicity in two dimensions with a free third dimension, have garnered significant interest in many fields. We apply the sum-of …
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PublicationThis article shows that it is, in principle, possible to make a dielectric rod completely invisible to an incident electromagnetic plane wave of a given frequency. Students can …
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PublicationFast Ewald summation is the most widely used approach for computing long-range Coulomb interactions in molecular dynamics (MD) simulations. While the asymptotic scaling is nearly optimal, its …
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PublicationA new scheme is proposed to construct an (n)-times differentiable function extension of an (n)-times differentiable function defined on a smooth domain, (D,) in (d)-dimensions …
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Publication… is calculated using asymptotic methods. We illustrate the performance of DMK for both continuous and discrete sources with extensive numerical examples in two and three dimensions.
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PublicationEarth introduces strong attenuation and dispersion to propagating waves. The time-fractional wave equation with very small fractional exponent, based on Kjartansson's constant-Q theory, is widely …
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PublicationA high-order quadrature scheme is constructed for the evaluation of Laplace single and double layer potentials and their normal derivatives on smooth surfaces in three dimensions. The …
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PublicationWe present a new complexification scheme based on the classical double layer potential for the solution of the Helmholtz equation with Dirichlet boundary conditions in compactly perturbed half …
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PublicationThis work concerns the design of perfectly conducting objects that are invisible to an incident transverse magnetic plane wave. The object in question is a finite planar waveguide …
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PublicationWe present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane …
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PublicationA new scheme is presented for imposing periodic boundary conditions on unit cells with arbitrary source distributions. We restrict our attention here to the Poisson, modified Helmholtz, Stokes …
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Approximating the Gaussian as a Sum of Exponentials and Its Applications to the Fast Gauss Transform
PublicationWe develop efficient and accurate sum-of-exponential (SOE) approximations for the Gaussian using rational approximation of the exponential function on the negative real axis. Six digit accuracy … -
PublicationA new scheme is proposed to construct a \(mathcal{C}^n\) function extension for smooth functions defined on a smooth domain \(Din mathbb{R}^d\). Unlike the PUX …
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PublicationA numerical scheme is presented for the solution of Fredholm second-kind boundary integral equations with right-hand sides that are singular at a finite set of boundary …