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This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Recently, we have shown how current cosmological N-body codes already follow the fine grained phase-space information of the dark matter fluid. Using a tetrahedral tesselation of the three-dimensional manifold that describes perfectly cold…

Cosmology and Nongalactic Astrophysics · Physics 2015-06-11 Oliver Hahn , Tom Abel , Ralf Kaehler

We present efficient algorithms to build data structures and the lists needed for fast multipole methods. The algorithms are capable of being efficiently implemented on both serial, data parallel GPU and on distributed architectures. With…

Mathematical Software · Computer Science 2013-01-10 Qi Hu , Nail A. Gumerov , Ramani Duraiswami

This paper presents a novel approach for accelerating n-body simulations by integrating a physics-informed graph neural networks (GNN) with traditional numerical methods. Our method implements a leapfrog-based simulation engine to generate…

Machine Learning · Computer Science 2025-04-03 Víctor Ramos-Osuna , Alberto Díaz-Álvarez , Raúl Lara-Cabrera

Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly…

Simulating large-scale microswimmer dynamics in viscous fluid poses significant challenges due to the coupled high spatial and temporal complexity. Conventional high-performance computing (HPC) methods often address these two dimensions in…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-15 Ruixiang Huang , Weifan Liu

This paper is aimed at improving the performance of the treecode algorithm for N-Body simulation by employing the NetSolve GridRPC programming model to exploit the use of multiple clusters. N-Body is a classical problem, and appears in many…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-11-13 Truong Vinh Truong Duy , Katsuhiro Yamazaki , Shigeru Oyanagi

The formation of the large-scale structure, the evolution and distribution of galaxies, quasars, and dark matter on cosmological scales, requires numerical simulations. Differentiable simulations provide gradients of the cosmological…

Instrumentation and Methods for Astrophysics · Physics 2022-11-21 Yin Li , Libin Lu , Chirag Modi , Drew Jamieson , Yucheng Zhang , Yu Feng , Wenda Zhou , Ngai Pok Kwan , François Lanusse , Leslie Greengard

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Recent advancements in hardware accelerators such as Tensor Processing Units (TPUs) speed up computation time relative to Central Processing Units (CPUs) not only for machine learning but, as demonstrated here, also for scientific modeling…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-04-22 Damien Pierce , R. Lily Hu , Yusef Shafi , Anudhyan Boral , Vladimir Anisimov , Sella Nevo , Yi-fan Chen

Astrophysical research in recent decades has made significant progress thanks to the availability of various $N$-body simulation techniques. With the rapid development of high-performance computing technologies, modern simulations have been…

Instrumentation and Methods for Astrophysics · Physics 2015-10-07 Maxwell Xu Cai , Yohai Meiron , M. B. N. Kouwenhoven , Paulina Assmann , Rainer Spurzem

We present a computational framework for modeling large-scale particle-laden flows in complex domains with the goal of enabling simulations in medical-image derived patient specific geometries. The framework is based on a volume-filtered…

Fluid Dynamics · Physics 2023-11-28 Abhilash Reddy Malipeddi , C. Alberto Figueroa , Jesse Capecelatro

N-body simulations are essential tools in physical cosmology to understand the large-scale structure (LSS) formation of the Universe. Large-scale simulations with high resolution are important for exploring the substructure of universe and…

Computational Physics · Physics 2020-10-22 Shenggan Cheng , Hao-Ran Yu , Derek Inman , Qiucheng Liao , Qiaoya Wu , James Lin

In this paper, a new progressive mesh algorithm is introduced in order to perform fast physical simulations by the use of a lattice Boltzmann method (LBM) on a single-node multi-GPU architecture. This algorithm is able to mesh automatically…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-10-14 Julien Duchateau , François Rousselle , Nicolas Maquignon , Gilles Roussel , Christophe Renaud

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…

Computational Physics · Physics 2024-12-11 Paolo Joseph Baioni , Tommaso Benacchio , Luigi Capone , Carlo de Falco

We present a new solver for massively parallel simulations of fully three-dimensional multiphase flows. The solver runs on a variety of computer architectures from laptops to supercomputers and on 65536 threads or more (limited only by the…

Fluid Dynamics · Physics 2014-11-03 S. Shin , J. Chergui , D. Juric

A computational fluid dynamics (CFD) simulation framework for fluid-flow prediction is developed on the Tensor Processing Unit (TPU) platform. The TPU architecture is featured with accelerated dense matrix multiplication, large high…

Computational Physics · Physics 2022-03-02 Qing Wang , Matthias Ihme , Yi-Fan Chen , John Anderson

It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…

Computational Physics · Physics 2014-07-28 Hao Zhang , F. Xavier Trias , Assensi Oliva , Dongmin Yang , Yuanqiang Tan , Shi Shu , Yong Sheng

We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…

Instrumentation and Methods for Astrophysics · Physics 2014-10-20 Keigo Nitadori