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Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations. By implementing the theory efficiently so as to run at…

Materials Science · Physics 2022-08-11 Victor Wen-zhe Yu , Marco Govoni

The tree method is a widely implemented algorithm for collisionless $N$-body simulations in astrophysics well suited for GPU(s). Adopting hierarchical time stepping can accelerate $N$-body simulations; however, it is infrequently…

Instrumentation and Methods for Astrophysics · Physics 2016-11-09 Yohei Miki , Masayuki Umemura

We present results from our cosmological N-body simulation which consisted of 2048x2048x2048 particles and ran distributed across three supercomputers throughout Europe. The run, which was performed as the concluding phase of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-27 Derek Groen , Steven Rieder , Simon Portegies Zwart

In this paper, we present a new hybrid algorithm for the time integration of collisional N-body systems. In this algorithm, gravitational force between two particles is divided into short-range and long-range terms, using a…

Earth and Planetary Astrophysics · Physics 2015-05-27 Shoichi Oshino , Yoko Funato , Junichiro Makino

The increasing complexity and scale of cosmological N-body simulations, driven by astronomical surveys like Euclid, call for a paradigm shift towards more sustainable and energy-efficient high-performance computing (HPC). The rising energy…

General purpose graphical processing units (GPU's) offer high processing speeds for certain classes of highly parallelizable computations, such as matrix operations and Fourier transforms, that lie at the heart of first-principles…

Materials Science · Physics 2012-04-20 Maxwell Hutchinson , Michael Widom

The numerical simulations of massive collisional stellar systems, such as globular clusters (GCs), are very time-consuming. Until now, only a few realistic million-body simulations of GCs with a small fraction of binaries (5%) have been…

Instrumentation and Methods for Astrophysics · Physics 2020-07-28 Long Wang , Masaki Iwasawa , Keigo Nitadori , Junichiro Makino

We present a novel hierarchical formulation of the fourth-order forward symplectic integrator and its numerical implementation in the GPU-accelerated direct-summation N-body code FROST. The new integrator is especially suitable for…

Instrumentation and Methods for Astrophysics · Physics 2021-03-12 Antti Rantala , Thorsten Naab , Volker Springel

The gravitational N-body simulation in the Solar system was performed using different parallel approaches with the comparisons in the computational times and speed-up values being carried out under different model sizes and the number of…

Earth and Planetary Astrophysics · Physics 2022-01-03 Tailin Zhu

We provide high-speed implementations for simulating reservoirs described by $N$-coupled spin-torque oscillators. Here $N$ also corresponds to the number of reservoir nodes. We benchmark a variety of implementations based on CPU and GPU.…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-05 Thomas Geert de Jong , Nozomi Akashi , Tomohiro Taniguchi , Hirofumi Notsu , Kohei Nakajima

Special high-accuracy direct force summation N-body algorithms and their relevance for the simulation of the dynamical evolution of star clusters and other gravitating N-body systems in astrophysics are presented, explained and compared…

Astrophysics · Physics 2007-05-23 R. Spurzem

Yen et al. (2012) advanced a direct approach for the calculation of self-gravitational force to second order accuracy based on uniform grid discretization. This method improves the accuracy of N-body calculation by using exact integration…

Computational Physics · Physics 2020-01-15 Yao-Huan Tseng , Hsien Shang , Chien-Chang Yen

The quantum algorithm of Quantum Phase Estimation (QPE) was implemented to make the maximum use of GPU emulation with cuQuantum and CUDA Toolkit by NVIDIA. The input and output were handled by HDF5 to make the process as easy as possible.…

Quantum Physics · Physics 2025-07-24 Takaki Akiba , Youhi Morii

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

This study explores the use of INT8-based emulation for accelerating traditional FP64-based HPC workloads on modern GPU architectures. Through SCILIB-Accel automatic BLAS offload tool for cache-coherent Unified Memory Architecture, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-01 Hang Liu , Junjie Li , Yinzhi Wang , Niraj K. Nepal , Yang Wang

Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the…

Machine Learning · Computer Science 2025-07-08 Jonathan Wenger , Kaiwen Wu , Philipp Hennig , Jacob R. Gardner , Geoff Pleiss , John P. Cunningham

We present implementations of a fourth-order symplectic integrator on graphic processing units for three $N$-body models with long-range interactions of general interest: the Hamiltonian Mean Field, Ring and two-dimensional self-gravitating…

Computational Physics · Physics 2012-12-04 Tarcísio M. Rocha Filho

The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well exploited with a combination of SIMD,…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-14 Carsten Kutzner , Szilárd Páll , Martin Fechner , Ansgar Esztermann , Bert L. de Groot , Helmut Grubmüller

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing…

Computational Physics · Physics 2013-03-07 Ari Harju , Topi Siro , Filippo Federici-Canova , Samuli Hakala , Teemu Rantalaiho

Video and image streaming on edge devices requires low latency. To address this, Neural Networks (NNs) are widely used, and prior work mainly focuses on accelerating them with single hardware units such as Graphics Processing Units (GPUs),…

Hardware Architecture · Computer Science 2026-05-04 Ali Emre Oztas , Mahir Demir , James Garside , Mikel Luj'an