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The Fast Multipole Method (FMM) is well known to possess a bottleneck arising from decreasing workload on higher levels of the FMM tree [Greengard and Gropp, Comp. Math. Appl., 20(7), 1990]. We show that this potential bottleneck can be…

Computational Engineering, Finance, and Science · Computer Science 2010-08-17 Matthew G. Knepley

In this work we present a variant of the fast multipole method (FMM) for efficiently evaluating standard layer potentials on geometries with complex coordinates in two and three dimensions. The complex scaled boundary integral method for…

Numerical Analysis · Mathematics 2025-10-20 Tristan Goodwill , Leslie Greengard , Jeremy Hoskins , Manas Rachh , Yuguan Wang

This paper introduces a parallel directional fast multipole method (FMM) for solving N-body problems with highly oscillatory kernels, with a focus on the Helmholtz kernel in three dimensions. This class of oscillatory kernels requires a…

Numerical Analysis · Mathematics 2018-01-08 Austin R. Benson , Jack Poulson , Kenneth Tran , Björn Engquist , Lexing Ying

The use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast…

Numerical Analysis · Mathematics 2017-06-28 Manas Rachh , Andreas Klöckner , Michael O'Neil

Fast algorithms for the computation of $N$-body problems can be broadly classified into mesh-based interpolation methods, and hierarchical or multiresolution methods. To this last class belongs the well-known fast multipole method (FMM),…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-21 Felipe A. Cruz , Matthew G. Knepley , L. A. Barba

We investigate a hybrid numerical algorithm aimed at the large-scale cosmological N-body simulation for the on-going and the future high precious sky surveys. It makes use of a truncated Fast Multiple Method (FMM) for short-range gravity,…

Computational Physics · Physics 2021-01-13 Qiao Wang

Fast multipole methods (FMM) were originally developed for accelerating $N$-body problems for particle-based methods. FMM is more than an $N$-body solver, however. Recent efforts to view the FMM as an elliptic Partial Differential Equation…

Numerical Analysis · Mathematics 2016-08-09 Huda Ibeid , Rio Yokota , David Keyes

The Fast Multipole Method (FMM) offers an acceleration for pairwise interaction calculation, known as $N$-body problems, from $\mathcal{O}(N^2)$ to $\mathcal{O}(N)$ with $N$ particles. This has brought dramatic increase in the capability of…

Data Structures and Algorithms · Computer Science 2011-09-21 Felipe A. Cruz , L. A. Barba

Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the current parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-27 Huda Ibeid , Rio Yokota , David Keyes

Among the algorithms that are likely to play a major role in future exascale computing, the fast multipole method (FMM) appears as a rising star. Our previous recent work showed scaling of an FMM on GPU clusters, with problem sizes in the…

Numerical Analysis · Computer Science 2012-10-30 Rio Yokota , Lorena Barba

The Helmholtz equation is notoriously difficult to solve with standard numerical methods, increasingly so, in fact, at higher frequencies. Controllability methods instead transform the problem back to the time-domain, where they seek the…

Numerical Analysis · Mathematics 2020-03-18 Marcus J. Grote , Frédéric Nataf , Jet Hoe Tang , Pierre-Henri Tournier

The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Improvements both on a numerical and computational basis can relief problems related to this bottleneck. This work presents an efficient…

Computational Physics · Physics 2017-08-23 Pietro Palmesi , Lukas Exl , Florian Bruckner , Claas Abert , Dieter Suess

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

Chemical Physics · Physics 2025-06-10 Junfan Xia , Bin Jiang

While fast multipole methods (FMMs) are in widespread use for the rapid evaluation of potential fields governed by the Laplace, Helmholtz, Maxwell or Stokes equations, their coupling to high-order quadratures for evaluating layer potentials…

Numerical Analysis · Mathematics 2021-04-26 Leslie Greengard , Michael O'Neil , Manas Rachh , Felipe Vico

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…

Computational Physics · Physics 2016-08-15 Xikai Jiang , Jiyuan Li , Xujun Zhao , Jian Qin , Dmitry Karpeev , Juan Hernandez-Ortiz , Juan de Pablo , Olle Heinonen

Boundary integral equations are an efficient and accurate tool for the numerical solution of elliptic boundary value problems. The solution is expressed as a layer potential; however, the error in its evaluation grows large near the…

Numerical Analysis · Mathematics 2013-10-22 Alex H. Barnett

The Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

The Laplace-Beltrami problem on closed surfaces embedded in three dimensions arises in many areas of physics, including molecular dynamics (surface diffusion), electromagnetics (harmonic vector fields), and fluid dynamics (vesicle…

Numerical Analysis · Mathematics 2023-05-12 Dhwanit Agarwal , Michael O'Neil , Manas Rachh

In this paper, a fast multipole method (FMM) is proposed for 3-D Laplace equation in layered media. The potential due to charges embedded in layered media is decomposed into a free space component and four types of reaction field…

Numerical Analysis · Mathematics 2020-05-26 Bo Wang , Wen Zhong Zhang , Wei Cai

The present work attempts to integrate the independent efforts in the fast N-body community to create the fastest N-body library for many-core and heterogenous architectures. Focus is placed on low accuracy optimizations, in response to the…

Numerical Analysis · Computer Science 2012-09-20 Rio Yokota
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