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We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

We present a highly general implementation of fast multipole methods on graphics processing units (GPUs). Our two-dimensional double precision code features an asymmetric type of adaptive space discretization leading to a particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-02-22 Anders Goude , Stefan Engblom

The present research builds on a recently proposed spatial prediction method for discretized two-dimensional data, based on a suitably modified planar rotator (MPR) spin model from statistical physics. This approach maps the measured data…

Computational Physics · Physics 2020-07-08 Matúš Lach , Michal Borovský , Milan Žukovič

Since the first detection of gravitational waves by the LIGO/VIRGO team, the related research field has attracted more attention. The spinning compact binaries system, as one of the gravitational-wave sources for broadband laser…

General Relativity and Quantum Cosmology · Physics 2022-12-21 Junjie Luo , Jie Feng , Hong-Hao Zhang , Weipeng Lin

We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous…

Computational Physics · Physics 2012-07-20 Martin Weigel , Taras Yavors'kii

We report a novel application of graphics processing units (GPUs) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16 fold has been achieved compared…

General Relativity and Quantum Cosmology · Physics 2010-05-25 Shin Kee Chung , Linqing Wen , David Blair , Kipp Cannon , Amitava Datta

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…

Computational Physics · Physics 2023-08-16 Hongwei Chen , Shiyang Chen , Joshua J. Turner , Adrian Feiguin

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro

This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…

Computational Physics · Physics 2020-01-08 Lianhua Zhu , Peng Wang , Songze Chen , Zhaoli Guo , Yonghao Zhang

We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…

Materials Science · Physics 2025-07-31 Xuejun Gong , Andrea Dal Corso

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

Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…

Computational Physics · Physics 2026-03-31 Yunuo Xiong

In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…

Computational Physics · Physics 2019-10-24 Christian Flohr Nielsen

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

The ever-growing size of modern space-time data sets, such as those collected by remote sensing, requires new techniques for their efficient and automated processing, including gap-filling of missing values. CUDA-based parallelization on…

Computation · Statistics 2022-12-05 M. Lach , M. Žukovič

Modern graphics computing units (GPUs) are designed and optimized to perform highly parallel numerical calculations. This parallelism has enabled (and promises) significant advantages, both in terms of energy performance and calculation. In…

Hardware Architecture · Computer Science 2021-10-26 Quentin Gallouédec

In this paper, we present a GPU-accelerated direct-sum boundary integral method to solve the linear Poisson-Boltzmann (PB) equation. In our method, a well-posed boundary integral formulation is used to ensure the fast convergence of Krylov…

Numerical Analysis · Mathematics 2015-06-12 Weihua Geng , Ferosh Jacob

Recent hardware acceleration advances have enabled powerful specialized accelerators for finite element computations, spiking neural network inference, and sparse tensor operations. However, existing approaches face fundamental limitations:…

Hardware Architecture · Computer Science 2026-01-09 Chuanzhen Wang , Leo Zhang , Eric Liu

We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which build up spline basis set expansions of…

Computational Physics · Physics 2012-08-20 Yutaka Uejima , Ryo Maezono

With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…

Instrumentation and Methods for Astrophysics · Physics 2015-12-22 Georgios Bekiaris , Karl Glazebrook , Christopher J. Fluke , Roberto Abraham
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