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In this work, we examine the performance, energy efficiency and usability when using Python for developing HPC codes running on the GPU. We investigate the portability of performance and energy efficiency between CUDA and OpenCL; between…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-11 Håvard H. Holm , André R. Brodtkorb , Martin L. Sætra

The pair-coupled-cluster doubles (pCCD) method has emerged as a viable approach for quantum-chemical studies of strongly correlated systems. Despite its lower formal scaling (O(N$^4$)) compared to other versions of coupled cluster (CC)…

Chemical Physics · Physics 2026-04-17 Rahul Chakraborty , Paweł Tecmer

The Electron Ion Collider (EIC) is the next generation of precision QCD facility to be built at Brookhaven National Laboratory in conjunction with Thomas Jefferson National Laboratory. There are a significant number of software and…

Instrumentation and Detectors · Physics 2022-12-20 J. C. Bernauer , C. T. Dean , C. Fanelli , J. Huang , K. Kauder , D. Lawrence , J. D. Osborn , C. Paus , J. K. Adkins , Y. Akiba , A. Albataineh , M. Amaryan , I. C. Arsene , C. Ayerbe Gayoso , J. Bae , X. Bai , M. D. Baker , M. Bashkanov , R. Bellwied , F. Benmokhtar , V. Berdnikov , F. Bock , W. Boeglin , M. Borysova , E. Brash , P. Brindza , W. J. Briscoe , M. Brooks , S. Bueltmann , M. H. S. Bukhari , A. Bylinkin , R. Capobianco , W. -C. Chang , Y. Cheon , K. Chen , K. -F. Chen , K. -Y. Cheng , M. Chiu , T. Chujo , Z. Citron , E. Cline , E. Cohen , T. Cormier , Y. Corrales Morales , C. Cotton , J. Crafts , C. Crawford , S. Creekmore , C. Cuevas , J. Cunningham , G. David , M. Demarteau , S. Diehl , N. Doshita , R. Dupré , J. M. Durham , R. Dzhygadlo , R. Ehlers , L. El Fassi , A. Emmert , R. Ent , R. Fatemi , S. Fegan , M. Finger , M. Finger , J. Frantz , M. Friedman , I. Friscic , D. Gangadharan , S. Gardner , K. Gates , F. Geurts , R. Gilman , D. Glazier , E. Glimos , Y. Goto , N. Grau , S. V. Greene , A. Q. Guo , L. Guo , S. K. Ha , J. Haggerty , T. Hayward , X. He , O. Hen , D. W. Higinbotham , M. Hoballah , T. Horn , A. Hoghmrtsyan , P. -h. J. Hsu , G. Huber , A. Hutson , K. Y. Hwang , C. Hyde , M. Inaba , T. Iwata , H. S. Jo , K. Joo , N. Kalantarians , G. Kalicy , K. Kawade , S. J. D. Kay , A. Kim , B. Kim , C. Kim , M. Kim , Y. Kim , Y. Kim , E. Kistenev , V. Klimenko , S. H. Ko , I. Korover , W. Korsch , G. Krintiras , S. Kuhn , C. -M. Kuo , T. Kutz , J. Lajoie , S. Lebedev , H. Lee , J. S. H. Lee , S. W. Lee , Y. -J. Lee , W. Li , W. Li , X. Li , X. Li , Y. T. Liang , S. Lim , C. -h. Lin , D. X. Lin , K. Liu , M. X. Liu , K. Livingston , N. Liyanage , W. J. Llope , C. Loizides , E. Long , R. -S. Lu , Z. Lu , W. Lynch , D. Marchand , M. Marcisovsky , P. Markowitz , H. Marukyan , P. McGaughey , M. Mihovilovic , R. G. Milner , A. Milov , Y. Miyachi , A. Mkrtchyan , P. Monaghan , R. Montgomery , D. Morrison , A. Movsisyan , H. Mkrtchyan , A. Mkrtchyan , C. Munoz Camacho , M. Murray , K. Nagai , J. Nagle , I. Nakagawa , C. Nattrass , D. Nguyen , S. Niccolai , R. Nouicer , G. Nukazuka , M. Nycz , V. A. Okorokov , S. Orešić , C. O'Shaughnessy , S. Paganis , Z Papandreou , S. F. Pate , M. Patel , G. Penman , M. G. Perdekamp , D. V. Perepelitsa , H. Periera da Costa , K. Peters , W. Phelps , E. Piasetzky , C. Pinkenburg , I. Prochazka , T. Protzman , M. L. Purschke , J. Putschke , J. R. Pybus , R. Rajput-Ghoshal , J. Rasson , B. Raue , K. Read , K. Røed , R. Reed , J. Reinhold , E. L. Renner , J. Richards , C. Riedl , T. Rinn , J. Roche , G. M. Roland , G. Ron , M. Rosati , C. Royon , J. Ryu , S. Salur , N. Santiesteban , R. Santos , M. Sarsour , J. Schambach , A. Schmidt , N. Schmidt , C. Schwarz , J. Schwiening , R. Seidl , A. Sickles , P. Simmerling , S. Sirca , D. Sharma , Z. Shi , T. -A. Shibata , C. -W. Shih , S. Shimizu , U. Shrestha , K. Slifer , K. Smith , D. Sokhan , R. Soltz , W. Sondheim , J. Song , J. Song , I. I. Strakovsky , P. Steinberg , P. Stepanov , J. Stevens , J. Strube , P. Sun , X. Sun , K. Suresh , V. Tadevosyan , W. -C. Tang , S. Tapia Araya , S. Tarafdar , L. Teodorescu , A. Timmins , L. Tomasek , N. Trotta , R. Trotta , T. S. Tveter , E. Umaka , A. Usman , H. W. van Hecke , C. Van Hulse , J. Velkovska , E. Voutier , P. K. Wang , Q. Wang , Y. Wang , Y. Wang , D. P. Watts , N. Wickramaarachchi , L. Weinstein , M. Williams , C. -P. Wong , L. Wood , M. H. Wood , C. Woody , B. Wyslouch , Z. Xiao , Y. Yamazaki , Y. Yang , Z. Ye , H. D. Yoo , M. Yurov , N. Zachariou , W. A. Zajc , J. Zhang , Y. Zhang , Y. X. Zhao , X. Zheng , P. Zhuang

Significant obstacles exist in scientific domains including genetics, climate modeling, and astronomy due to the management, preprocess, and training on complicated data for deep learning. Even while several large-scale solutions offer…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-23 Arup Kumar Sarker , Aymen Alsaadi , Alexander James Halpern , Prabhath Tangella , Mikhail Titov , Niranda Perera , Mills Staylor , Gregor von Laszewski , Shantenu Jha , Geoffrey Fox

Geoff is a collection of Python packages that form a framework for automation of particle accelerator controls. With particle accelerator laboratories around the world researching machine learning techniques to improve accelerator…

Accelerator Physics · Physics 2025-09-19 Penelope Madysa , Sabrina Appel , Verena Kain , Michael Schenk

As the particle physics community needs higher and higher precisions in order to test our current model of the subatomic world, larger and larger datasets are necessary. With upgrades scheduled for the detectors of colliding-beam…

Data Analysis, Statistics and Probability · Physics 2025-09-09 Fotis I. Giasemis

iPIC3D is a widely used massively parallel Particle-in-Cell code for the simulation of space plasmas. However, its current implementation does not support execution on multiple GPUs. In this paper, we describe the porting of iPIC3D particle…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-27 Chaitanya Prasad Sishtla , Steven W. D. Chien , Vyacheslav Olshevsky , Erwin Laure , Stefano Markidis

In this paper we compare several Python tools for automatic differentiation. In order to assess the difference in performance and precision, the problem of finding the optimal geometrical structure of the cluster with identical atoms is…

Mathematical Software · Computer Science 2016-06-22 Andrei Turkin , Aung Thu

The Compact Linear Collider, CLIC, is a multi-TeV electron-positron collider proposed for construction at CERN. A detector model, CLICdet, that is suited for the experimental conditions at CLIC and is based on realistic performance, has…

High Energy Physics - Experiment · Physics 2019-09-30 Emilia Leogrande , Philipp Roloff , Ulrike Schnoor , Matthias Weber

The build up of electron clouds inside a particle accelerator vacuum chamber can produce strong transverse and longitudinal beam instabilities which in turn can lead to high levels of beam loss often requiring the accelerator to be run…

Accelerator Physics · Physics 2013-09-19 A. Pertica , S. J. Payne

We present a new open source python package, based on PyLightcurve and PyTorch, tailored for efficient computation and automatic differentiation of exoplanetary transits. The classes and functions implemented are fully vectorised, natively…

Earth and Planetary Astrophysics · Physics 2021-03-24 Mario Morvan , Angelos Tsiaras , Nikolaos Nikolaou , Ingo P. Waldmann

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Shen Li , Yanli Zhao , Rohan Varma , Omkar Salpekar , Pieter Noordhuis , Teng Li , Adam Paszke , Jeff Smith , Brian Vaughan , Pritam Damania , Soumith Chintala

Protons and heavy-ion beams at unprecedented energies are brought into collisions in the CERN Large Hadron Collider for high-energy experiments. The LHC multi-stage collimation system is designed to provide protection against regular and…

Accelerator Physics · Physics 2020-11-11 N. Fuster-Martínez

CELES is a freely available MATLAB toolbox to simulate light scattering by many spherical particles. Aiming at high computational performance, CELES leverages block-diagonal preconditioning, a lookup-table approach to evaluate costly…

Computational Physics · Physics 2017-06-08 Amos Egel , Lorenzo Pattelli , Giacomo Mazzamuto , Diederik S. Wiersma , Uli Lemmer

PyEOC is an open-source Python code for determining electro-optic (EO) coefficients of thin-film materials from the static and dynamic reflectivity measurements. It uses the experimental results, the transfer-matrix method and implements a…

Materials Science · Physics 2022-05-12 Sidi Ould Saad Hamady

Local execution of AI on edge devices is important for low latency and offline operation. However, deploying models on diverse hardware remains fragmented, often requiring model conversion or complete reimplementation outside the PyTorch…

Simulations of electrochemical double layer capacitors based on porous carbon electrodes, energy storage systems which accumulate and release energy through reversible ion adsorption at electrode/electrolyte interfaces, are often performed…

Materials Science · Physics 2026-03-25 El Hassane Lahrar , Mathieu Salanne , Rudolf Weeber , Céline Merlet

A high-energy e+e- collider, such as the ILC or CLIC, is arguably the best option to complement and extend the LHC physics programme. A lepton collider will allow for exploration of Standard Model Physics, such as precise measurements of…

Instrumentation and Detectors · Physics 2013-08-22 J. S. Marshall , M. A. Thomson

Xsuite is a newly developed modular simulation package combining in a single flexible and modern framework the capabilities of different tools developed at CERN in the past decades, notably Sixtrack, Sixtracklib, COMBI and PyHEADTAIL. The…