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Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-03-03 Jana Pazúriková

We present a new implementation of the numerical integration of the classical, gravitational, N-body problem based on a high order Hermite's integration scheme with block time steps, with a direct evaluation of the particle-particle forces.…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 R. Capuzzo-Dolcetta , M. Spera , D. Punzo

For the successful development of the astrophysics and, accordingly, for obtaining more complete knowledge of the Universe, it is extremely important to combine and comprehensively analyze information of various types (e.g., about charged…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-11-16 Alexander Kryukov , Andrey Demichev

We present a new parallel code for computing the dynamical evolution of collisional N-body systems with up to N~10^7 particles. Our code is based on the the Henon Monte Carlo method for solving the Fokker-Planck equation, and makes…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 Bharath Pattabiraman , Stefan Umbreit , Wei-Keng Liao , Alok Choudhary , Vassiliki Kalogera , Gokhan Memik , Frederic A. Rasio

A revision of Stodolkiewicz's Monte-Carlo code is used to simulate evolution of star clusters. The new method treats each superstar as a single star and follows the evolution and motion of all individual stellar objects. The first…

Astrophysics · Physics 2009-10-30 Mirek Giersz

A systolic algorithm rhythmically computes and passes data through a network of processors. We investigate the performance of systolic algorithms for implementing the gravitational N-body problem on distributed-memory computers. Systolic…

Astrophysics · Physics 2009-11-07 E. N. Dorband , Marc Hemsendorf , David Merritt

A major goal of computational astrophysics is to simulate the Milky Way Galaxy with sufficient resolution down to individual stars. However, the scaling fails due to some small-scale, short-timescale phenomena, such as supernova explosions.…

As computer simulations continue to grow in size and complexity, they present a particularly challenging class of big data problems. Many application areas are moving toward exascale computing systems, systems that perform $10^{18}$ FLOPS…

We describe a modified version of the NBODY6 code for simulating star clusters which greatly improves computational efficiency while sacrificing little in the way of accuracy. The distant force calculator is replaced by a GPU-enabled…

Instrumentation and Methods for Astrophysics · Physics 2021-11-22 Anthony D. Arnold , Holger Baumgardt , Long Wang

This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…

Fluid Dynamics · Physics 2024-03-21 J. E. Marquardt , N. Hafen , M. J. Krause

The Dark Sky Simulations are an ongoing series of cosmological N-body simulations designed to provide a quantitative and accessible model of the evolution of the large-scale Universe. Such models are essential for many aspects of the study…

Cosmology and Nongalactic Astrophysics · Physics 2014-07-10 Samuel W. Skillman , Michael S. Warren , Matthew J. Turk , Risa H. Wechsler , Daniel E. Holz , P. M. Sutter

In this work we propose an accelerated stochastic learning system for very large-scale applications. Acceleration is achieved by mapping the training algorithm onto massively parallel processors: we demonstrate a parallel, asynchronous GPU…

Machine Learning · Computer Science 2017-02-24 Thomas Parnell , Celestine Dünner , Kubilay Atasu , Manolis Sifalakis , Haris Pozidis

Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…

Mathematical Software · Computer Science 2023-09-28 Peter Noble , Tobias Weinzierl

In this work, we present a high-fidelity and efficient point-particle direct numerical simulation framework based on a multi-block overset curvilinear grid system, enabling large-scale Lagrangian particle tracking in complex geometries with…

Fluid Dynamics · Physics 2025-09-10 Taiyang Wang , Baoqing Meng , Baolin Tian , Yaomin Zhao

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…

Chemical Physics · Physics 2018-03-14 Dmitry I. Lyakh

Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…

Quantum Physics · Physics 2020-12-11 Thomas Grurl , Richard Kueng , Jürgen Fuß , Robert Wille

We describe the astrophysical and numerical basis of N-body simulations, both of collisional stellar systems (dense star clusters and galactic centres) and collisionless stellar dynamics (galaxies and large-scale structure). We explain and…

Instrumentation and Methods for Astrophysics · Physics 2011-05-26 Walter Dehnen , Justin Read

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…

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

Cosmological $N$-body simulations play a vital role in studying models for the evolution of the Universe. To compare to observations and make a scientific inference, statistic analysis on large simulation datasets, e.g., finding halos,…

Instrumentation and Methods for Astrophysics · Physics 2018-05-07 Nikita Ivkin , Zaoxing Liu , Lin F. Yang , Srinivas Suresh Kumar , Gerard Lemson , Mark Neyrinck , Alexander S. Szalay , Vladimir Braverman , Tamas Budavari