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Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

$\mathtt{StochasticGW}$ is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. $\mathtt{StochasticGW}$ utilizes the stochastic Resolution of the Identity (sROI) technique to…

High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…

Hardware Architecture · Computer Science 2015-04-20 Syed Waqar Nabi , Saji N. Hameed , Wim Vanderbauwhede

Fisher vector has been widely used in many multimedia retrieval and visual recognition applications with good performance. However, the computation complexity prevents its usage in real-time video monitoring. In this work, we proposed and…

Computer Vision and Pattern Recognition · Computer Science 2016-04-13 Wenying Ma , Liangliang Cao , Lei Yu , Guoping Long , Yucheng Li

The quantum perceptron, the variational circuit, and the Grover algorithm have been proposed as promising components for quantum machine learning. This paper presents a new quantum perceptron that combines the quantum variational circuit…

Quantum Physics · Physics 2024-04-16 Nouhaila Innan , Mohamed Bennai

A novel Gibbs Markov random field for spatial data on Cartesian grids based on the modified planar rotator (MPR) model of statistical physics has been recently introduced for efficient and automatic interpolation of big data sets, such as…

Computational Physics · Physics 2019-10-21 Milan Žukovič , Michal Borovský , Matúš Lach , Dionissios T. Hristopulos

General purpose computing on graphic processing units (GPU) is a potential method of speeding up scientific computation with low cost and high energy efficiency. We experimented with the particle physics simulation toolkit Geant4 used at…

Computational Physics · Physics 2012-09-25 Otto Seiskari , Jukka Kommeri , Tapio Niemi

The non-orthogonal local submatrix method applied to electronic-structure based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32 mixed floating-point arithmetic when using 4,400 NVIDIA A100 GPUs of the Perlmutter…

Computational Physics · Physics 2022-06-08 Robert Schade , Tobias Kenter , Hossam Elgabarty , Michael Lass , Thomas D. Kühne , Christian Plessl

Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for…

Materials Science · Physics 2010-05-06 Toshiaki Iitaka

This paper presents a computationally efficient implementation of a Hamming code decoder on a graphics processing unit (GPU) to support real-time software-defined radio (SDR), which is a software alternative for realizing wireless…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-23 Shohidul Islam , Cheol-Hong Kim , Jong-Myon Kim

We report the first CUDA graphics-processing-unit (GPU) implementation of the polymer field-theoretic simulation framework for determining fully fluctuating expectation values of equilibrium properties for periodic and select aperiodic…

Computational Physics · Physics 2015-06-04 Kris T. Delaney , Glenn H. Fredrickson

A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…

Computational Physics · Physics 2010-07-22 Benjamin Block , Peter Virnau , Tobias Preis

Graphics processing units (GPUs) excel at parallel processing, but remain largely unexplored in ultra-low-power edge devices (TinyAI) due to their power and area limitations, as well as the lack of suitable programming frameworks. To…

Hardware Architecture · Computer Science 2026-03-17 Simone Machetti , Pasquale Davide Schiavone , Lara Orlandic , Darong Huang , Deniz Kasap , Giovanni Ansaloni , David Atienza

A new physical implementation for quantum computation is proposed. The vibrational modes of molecules are used to encode qubit systems. Global quantum logic gates are realized using shaped femtosecond laser pulses which are calculated…

Quantum Physics · Physics 2009-11-07 Carmen M. Tesch , Regina de Vivie-Riedle

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

This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…

Computation · Statistics 2015-03-13 Hua Zhou , Kenneth Lange , Marc A. Suchard

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-01 Yu-Hang Tang , George Em Karniadakis

Analysis of processing time and similarity of images generated between CPU and GPU architectures and sequential and parallel programming. For image processing a computer with AMD FX-8350 processor and an Nvidia GTX 960 Maxwell GPU was used,…

Commodity video-gaming hardware (consoles, graphics cards, tablets, etc.) performance has been advancing at a rapid pace owing to strong consumer demand and stiff market competition. Gaming hardware devices are currently amongst the most…

Computational Physics · Physics 2016-09-14 Glenn Volkema , Gaurav Khanna

This work presents a new clustering algorithm, the GPIC, a Graphics Processing Unit (GPU) accelerated algorithm for Power Iteration Clustering (PIC). Our algorithm is based on the original PIC proposal, adapted to take advantage of the GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-04-12 Gustavo R. L Silva , Rafael R. Medeiros , Antonio P. Braga , Douglas A. G. Vieira