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Finite element simulations play a critical role in a wide range of applications, from automotive design to tsunami modeling and computational electromagnetics. Performing these simulations efficiently at the high resolutions needed for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-13 Jiqun Tu , Ian Karlin , John Camier , Veselin Dobrev , Tzanio Kolev , Stefan Henneking , Omar Ghattas

Elegant is an accelerator physics and particle-beam dynamics code widely used for modeling and design of a variety of high-energy particle accelerators and accelerator-based systems. In this paper we discuss a recently developed version of…

Computational Physics · Physics 2018-11-22 J. R. King , I. V. Pogorelov , K. M. Amyx , M. Borland , R. Soliday

We present GPU implementations of two fast force calculation methods, based on series expansions of the Poisson equation. One is the Self-Consistent Field (SCF) method, which is a Fourier-like expansion of the density field in some basis…

Instrumentation and Methods for Astrophysics · Physics 2015-06-22 Yohai Meiron , Baile Li , Kelly Holley-Bockelmann , Rainer Spurzem

The realized stochastic volatility (RSV) model that utilizes the realized volatility as additional information has been proposed to infer volatility of financial time series. We consider the Bayesian inference of the RSV model by the Hybrid…

Computational Finance · Quantitative Finance 2016-11-28 Tetsuya Takaishi

General-purpose Computing on Graphics Processing Units (GPGPU) has been introduced to many areas of scientific research such as bioinformatics, cryptography, computer vision, and deep learning. However, computing models in the High-energy…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-07-23 Max Isacson , Mattias Ellert , Richard Brenner

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…

With the fast developments of high-performance computing, first-principles methods based on quantum mechanics play a significant role in materials research, serving as fundamental tools for predicting and analyzing various properties of…

Materials Science · Physics 2024-10-11 Haochong Zhang , Zichao Deng , Yu Liu , Tao Liu , Mohan Chen , Shi Yin , Lixin He

Leveraging Graphics Processing Units (GPUs) to accelerate scientific software has proven to be highly successful, but in order to extract more performance, GPU programmers must overcome the high latency costs associated with their use. One…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-03 Jacob Faibussowitsch , Mark F. Adams , Richard Tran Mills , Stefano Zampini , Junchao Zhang

Single-cell sequencing technologies reveal cellular heterogeneity at high resolution, advancing our understanding of biological complexity. As datasets start to scale to tens of millions of cells, computational workflows face substantial…

In this paper, we present GATSPI, a novel GPU accelerated logic gate simulator that enables ultra-fast power estimation for industry sized ASIC designs with millions of gates. GATSPI is written in PyTorch with custom CUDA kernels for ease…

Machine Learning · Computer Science 2022-03-14 Yanqing Zhang , Haoxing Ren , Akshay Sridharan , Brucek Khailany

Earth system models (ESM) demand significant hardware resources and energy consumption to solve atmospheric chemistry processes. Recent studies have shown improved performance from running these models on GPU accelerators. Nonetheless,…

Searching for sources of electromagnetic emission in spectral-line radio astronomy interferometric data is a computationally intensive process. Parallel programming techniques and High Performance Computing hardware may be used to improve…

Instrumentation and Methods for Astrophysics · Physics 2015-07-20 Stefan Westerlund , Christopher Harris

Cardiac electrophysiology (CEP) simulations are increasingly used for understanding cardiac arrhythmias and guiding clinical decisions. However, these simulations typically require high-performance computing resources with numerous CPU…

Software Engineering · Computer Science 2025-10-15 Bei Zhou , Maximilian Balmus , Cesare Corrado , Ludovica Cicci , Shuang Qian , Steven A. Niederer

We present an approach to molecular-dynamics simulations of ferrofluids on graphics processing units (GPUs). Our numerical scheme is based on a GPU-oriented modification of the Barnes-Hut (BH) algorithm designed to increase the parallelism…

Computational Physics · Physics 2013-04-30 A. Yu. Polyakov , T. V. Lyutyy , S. Denisov , V. V. Reva , P. Hanggi

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

This paper presents the benchmarking and scaling studies of a GPU accelerated three dimensional compressible magnetohydrodynamic code. The code is developed keeping an eye to explain the large and intermediate scale magnetic field…

We present GFORS, a GPU-accelerated framework for large binary integer programs. It couples a first-order (PDHG-style) routine that guides the search in the continuous relaxation with a randomized, feasibility-aware sampling module that…

Optimization and Control · Mathematics 2025-11-03 Ningji Wei , Jiaming Liang

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

The progress made in accelerating simulations of fluid flow using GPUs, and the challenges that remain, are surveyed. The review first provides an introduction to GPU computing and programming, and discusses various considerations for…

Fluid Dynamics · Physics 2014-02-04 Kyle E Niemeyer , Chih-Jen Sung