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Programming for a diverse set of compute accelerators in addition to the CPU is a challenge. Maintaining separate source code for each architecture would require lots of effort, and development of new algorithms would be daunting if it had…

Computational Physics · Physics 2021-04-15 Taylor Childers , Matti J. Kortelainen , Martin Kwok , Alexei Strelchenko , Yunsong Wang

We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…

Mathematical Software · Computer Science 2025-07-25 Giulio Malenza , Giovanni Stabile , Filippo Spiga , Robert Birke , Marco Aldinucci

Simulating particle detector response is the single most expensive step in the Large Hadron Collider computational pipeline. Recently it was shown that normalizing flows can accelerate this process while achieving unprecedented levels of…

Instrumentation and Detectors · Physics 2024-02-15 Matthew R. Buckley , Claudius Krause , Ian Pang , David Shih

Efficiently solving large-scale sparse linear systems poses a significant challenge in computational science, especially in fields such as physics, engineering, machine learning, and finance. Traditional classical algorithms face…

Quantum Physics · Physics 2024-10-04 Hakikat Singh

High Energy Physics experiments like the LUX-ZEPLIN dark matter experiment face unique challenges when running their computation on High Performance Computing resources. In this paper, we describe some strategies to optimize memory usage of…

Computational Physics · Physics 2020-12-08 Venkitesh Ayyar , Wahid Bhimji , Maria Elena Monzani , Andrew Naylor , Simon Patton , Craig E. Tull

Monte Carlo simulations are essential for physics analyses in high-energy physics, but their computational demands are continuously increasing. In LHCb, 90 % of computing resources are used for simulations, with the calorimeter simulation…

High Energy Physics - Experiment · Physics 2025-11-05 Michał Mazurek

Evolutionary computing (EC) has proven to be effective in solving complex optimization and robotics problems. Unfortunately, typical Evolutionary Algorithms (EAs) are constrained by the computational capacity available to researchers. More…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-19 Rustam Eynaliyev , Houcen Liu

The numerical study of relativistic magnetohydrodynamics (MHD) plays a crucial role in high-energy astrophysics, but unfortunately is computationally demanding, given the complex physics involved (high Lorentz factor flows, extreme…

High Energy Astrophysical Phenomena · Physics 2024-01-09 Luca Del Zanna , Simone Landi , Lorenzo Serafini , Matteo Bugli , Emanuele Papini

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-07 R. Borrell , D. Dosimont , M. Garcia-Gasulla , G. Houzeaux , O. Lehmkuhl , V. Mehta , H. Owen , M. Vazquez , G. Oyarzun

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…

Computational Physics · Physics 2025-05-08 Valay Agarawal , Rishu Khurana , Cong Liu , Matthew R. Hermes , Christopher Knight , Laura Gagliardi

We profile the impact of computation and inter-processor communication on the energy consumption and on the scaling of cortical simulations approaching the real-time regime on distributed computing platforms. Also, the speed and energy…

The electromagnetic ealorimeter (ECAL) of the CMS detector has played an important role in the physics program of the experiment, delivering outstanding performance throughout data taking. The High-Luminosity LHC will pose new challenges.…

Instrumentation and Detectors · Physics 2021-06-10 Stefano Argiro

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez

Optimizing charged-particle track reconstruction algorithms is crucial for efficient event reconstruction in Large Hadron Collider (LHC) experiments due to their significant computational demands. Existing track reconstruction algorithms…

Due to the very long timescales involved (us-s), theoretical modeling of fundamental biological processes including folding, misfolding, and mechanical unraveling of biomolecules, under physiologically relevant conditions, is challenging…

Soft Condensed Matter · Physics 2010-03-08 A. Zhmurov , R. I. Dima , Y. Kholodov , V. Barsegov

Cognitive simulation (CogSim) is an important and emerging workflow for HPC scientific exploration and scientific machine learning (SciML). One challenging workload for CogSim is the replacement of one component in a complex physical…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-13 Michael R Wyatt , Valen Yamamoto , Zoe Tosi , Ian Karlin , Brian Van Essen

This paper concerns development of a high-performance implementation of the Particle-in-Cell method for plasma simulation on Intel Xeon Phi coprocessors. We discuss suitability of the method for Xeon Phi architecture and present our…

Computational Physics · Physics 2016-08-05 I. A. Surmin , S. I. Bastrakov , E. S. Efimenko , A. A. Gonoskov , A. V. Korzhimanov , I. B. Meyerov

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Geospatial Processing, such as queries based on point-to-polyline shortest distance and point-in-polygon test, are fundamental to many scientific and engineering applications, including post-processing large-scale environmental and climate…

Databases · Computer Science 2014-03-05 Jianting Zhang Simin You