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Graphics Processing Unit (GPU) computing is becoming an alternate computing platform for numerical simulations. However, it is not clear which numerical scheme will provide the highest computational efficiency for different types of…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-07 Ben J. Zimmerman , Jonathan D. Regele , Bong Wie

Massively parallel computer architectures create new opportunities for the performance of long-timescale molecular dynamics (MD) simulations. Here, we introduce the path-accelerated molecular dynamics (PAMD) method that takes advantage of…

Computational Physics · Physics 2021-01-11 Jorge L. Rosa-Raíces , Bin Zhang , Thomas F. Miller

To enhance the scalability and performance of the traditional finite-difference time-domain (FDTD) methods, a three-dimensional summation-by-parts simultaneous approximation term (SBP-SAT) FDTD method is developed to solve complex…

Computational Engineering, Finance, and Science · Computer Science 2022-06-02 Yu Cheng , Hanhong Liu , Xinsong Wang , Guangzhi Chen , Xiang-Hua Wang , Xingqi Zhang , Shunchuan Yang , Zhizhang Chen

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…

Numerical Analysis · Computer Science 2012-10-30 R. Yokota , L. A. Barba , T. Narumi , K. Yasuoka

Surface wave tomography is essential for investigating the shear-wave velocity structure of the crust and upper mantle. The direct surface wave tomography method, DSurfTomo, has become one of the most widely adopted packages due to its…

Geophysics · Physics 2026-04-15 Shaohang Zhu , Junlun Li , Guoyi Chen , Hongjian Fang , Huajian Yao

General Purpose Graphics Processing Unit (GPGPU) computing plays a transformative role in deep learning and machine learning by leveraging the computational advantages of parallel processing. Through the power of Compute Unified Device…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-20 Ming Li , Ziqian Bi , Tianyang Wang , Yizhu Wen , Qian Niu , Xinyuan Song , Zekun Jiang , Junyu Liu , Benji Peng , Sen Zhang , Xuanhe Pan , Jiawei Xu , Jinlang Wang , Keyu Chen , Caitlyn Heqi Yin , Pohsun Feng , Ming Liu

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

Optimizing the performance of computational fluid dynamics (CFD) applications accelerated by graphics processing units (GPUs) is crucial for efficient simulations. In this study, we employed a machine learning-based autotuning technique to…

Performance · Computer Science 2024-02-21 Weicheng Xue , Christohper John Roy

The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…

Quantum Physics · Physics 2012-12-05 Frederick Ira Moxley , Weizhong Dai

We present a MATLAB script which can use GPU acceleration to simulate a trapped ion interacting with a low-density cloud of atoms. This script, called atomiongpu.m, can massively parallelize MD simulations of trajectories of a trapped ion…

Atomic Physics · Physics 2025-09-17 Saajid Chowdhury , Jesús Pérez-Ríos

We describe initial work on an extension of the Kaldi toolkit that supports weighted finite-state transducer (WFST) decoding on Graphics Processing Units (GPUs). We implement token recombination as an atomic GPU operation in order to fully…

Computation and Language · Computer Science 2018-07-30 Zhehuai Chen , Justin Luitjens , Hainan Xu , Yiming Wang , Daniel Povey , Sanjeev Khudanpur

This paper delivers a software -- libEMM -- for 3D controlled-source electromagnetics (CSEM) modelling in fictitious wave domain, based on the newly developed high-order finite-difference time-domain (FDTD) method on non-uniform grid. The…

Geophysics · Physics 2023-05-03 Pengliang Yang

Laser plasma instabilities (LPIs) have significant influences on the laser energy deposition efficiency, hot electron generation, and uniformity of irradiation in inertial confined fusion (ICF). In contrast to theoretical analysis of linear…

Plasma Physics · Physics 2024-04-23 Hanghang Ma , Liwei Tan , Suming Weng , Wenjun Ying , Zhengming Sheng , Jie Zhang

Computing platforms equipped with accelerators like GPUs have proven to provide great computational power. However, exploiting such platforms for existing scientific applications is not a trivial task. Current GPU programming frameworks…

High Energy Physics - Lattice · Physics 2014-08-27 F. T. Winter , M. A. Clark , R. G. Edwards , B. Joó

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

Solving inverse problems and achieving statistical rigour in landscape evolution models requires running many model realizations. Parallel computation is necessary to achieve this in a reasonable time. However, no previous algorithm is…

Computational Engineering, Finance, and Science · Computer Science 2019-01-23 Richard Barnes

A faster implementation of the Quadratic Programming (QP) solver used in the Model Predictive Control scheme for Iter Plasma current and shape control was developed for Xilinx Field-Programmable Gate Array (FPGA) platforms using a…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-19 Samo Gerkšič , Boštjan Pregelj , Matija Perne

Ordinary state-based peridynamic (OSB-PD) models have an unparalleled capability to simulate crack propagation phenomena in solids with arbitrary Poisson's ratio. However, their non-locality also leads to prohibitively high computational…

Numerical Analysis · Mathematics 2023-09-21 Tao Ni , Mirco Zaccariotto , Qizhi Zhu , Ugo Galvanetto

This paper focuses on the parallel implementation of a direct $N$-body method~(particle-particle algorithm) and the application of multiple GPUs for galactic dynamics simulations. Application of a hybrid OpenMP-CUDA technology is considered…

Computational Physics · Physics 2018-03-06 S. S. Khrapov , S. A. Khoperskov , A. V. Khoperskov

A parallel dispersive finite-difference time-domain (FDTD) method for the modeling of three-dimensional (3-D) electromagnetic cloaking structures is presented in this paper. The permittivity and permeability of the cloak are mapped to the…

Computational Physics · Physics 2015-05-13 Yan Zhao , Yang Hao