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We evaluate the practical performance of the zero-multiple summation method (ZMM), a method for approximately calculating electrostatic interactions in molecular dynamics simulations. The performance of the ZMM is compared with that of the…

Computational Physics · Physics 2018-05-15 Shun Sakuraba , Ikuo Fukuda

In this letter we describe the pseudoparticle multipole method (P2M2), a new method to express multipole expansion by a distribution of pseudoparticles. We can use this distribution of particles to calculate high order terms in both the…

Astrophysics · Physics 2009-10-31 Atsushi Kawai , Junichiro Makino

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

In this paper, a fast multipole method (FMM) is proposed to compute long-range interactions of wave sources embedded in 3-D layered media. The layered media Green's function for the Helmholtz equation, which satisfies the transmission…

Numerical Analysis · Mathematics 2020-01-08 Bo Wang , Wenzhong Zhang , Wei Cai

The resolution of Brownian motion in simulations of micro-particle suspensions can be crucial to reproducing the correct dynamics of individual particles, as well as providing an accurate characterisation of suspension properties. Including…

Fluid Dynamics · Physics 2015-06-16 Eric E. Keaveny

The paper considers the implementation of the fast multipole method (FMM) in the PHANTOM code for the calculation of forces in a self-gravitating system. The gravitational interaction forces are divided into short-range and long-range…

Solar and Stellar Astrophysics · Physics 2025-02-04 M. Sh. Potashov , A. V. Yudin

We present a GPU-accelerated cosmological simulation code, PhotoNs-GPU, based on algorithm of Particle Mesh Fast Multipole Method (PM-FMM), and focus on the GPU utilization and optimization. A proper interpolated method for truncated…

Instrumentation and Methods for Astrophysics · Physics 2021-12-28 Qiao Wang , Chen Meng

In boundary element methods (BEM) in $\mathbb{R}^3$, matrix elements and right hand sides are typically computed via analytical or numerical quadrature of the layer potential multiplied by some function over line, triangle and tetrahedral…

Numerical Analysis · Mathematics 2023-04-06 Nail A. Gumerov , Shoken Kaneko , Ramani Duraiswami

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 present an efficient method to mix well converged ab initio forces with simpler and faster ones in molecular dynamics. While the cheap forces are evaluated every time step, the converged ones correct the trajectory only every n time…

Materials Science · Physics 2009-11-10 E. Anglada , J. Junquera , J. M. Soler

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

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

Direct-summation N-body algorithms compute the gravitational interaction between stars in an exact way and have a computational complexity of O(N^2). Performance can be greatly enhanced via the use of special-purpose accelerator boards like…

Modeling of collisionless galactic systems is based on the N-body model, which requires large computational resources due to the long-range nature of gravitational forces. The most common method for calculating gravity is the TreeCode…

Computational Physics · Physics 2024-12-03 Nikolay M. Kuzmin , Danila S. Sirotin , Alexander V. Khoperskov

We present GPU implementations of two fast force calculation methods, based on series expansions of the Poisson equation. One is the Self-Consistent Field (SCF) method, which is a Fourier-like expansion of the density field in some basis…

Instrumentation and Methods for Astrophysics · Physics 2015-06-22 Yohai Meiron , Baile Li , Kelly Holley-Bockelmann , Rainer Spurzem

A fast multipole method (FMM) for asymptotically smooth kernel functions (1/r, 1/r^4, Gauss and Stokes kernels, radial basis functions, etc.) based on a Chebyshev interpolation scheme has been introduced in [Fong et al., 2009]. The method…

Numerical Analysis · Computer Science 2012-11-21 Matthias Messner , Bérenger Bramas , Olivier Coulaud , Eric Darve

To minimise systematic errors in Monte Carlo simulations of charged particles, long range electrostatic interactions have to be calculated accurately and efficiently. Standard approaches, such as Ewald summation or the naive application of…

Computational Physics · Physics 2021-02-24 William Robert Saunders , James Grant , Eike Hermann Müller

We present tests of comparison between our versions of the Fast Multipole Algorithm (FMA) and ``classic'' tree-code to evaluate gravitational forces in particle systems. We have optimized the Greengard's original version of FMA allowing for…

Astrophysics · Physics 2016-08-30 R. Capuzzo-Dolcetta , P. Miocchi

We present an efficient algorithm for computing the exact exchange contributions in the Hartree-Fock and hybrid density functional theory models on the basis of the fast multipole method (FMM). Our algorithm is based on the observation that…

Chemical Physics · Physics 2018-01-30 Hai-Anh Le , Toru Shiozaki

We study the capability of the Fast Fourier Transform (FFT) to accelerate exact and approximate matrix multiplication without using Strassen-like divide-and-conquer. We present a simple exact algorithm running in $O(n^{2.89})$ time, which…

Data Structures and Algorithms · Computer Science 2025-11-06 Yahel Uffenheimer , Omri Weinstein