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SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…

Performance · Computer Science 2025-02-28 Sebastian Eibl , Yi Yao , Matthias Scheffler , Markus Rampp , Luca M. Ghiringhelli , Thomas A. R. Purcell

The evolution of the computing landscape has resulted in the proliferation of diverse hardware architectures, with different flavors of GPUs and other compute accelerators becoming more widely available. To facilitate the efficient use of…

High Energy Physics - Experiment · Physics 2023-04-05 Meifeng Lin , Zhihua Dong , Tianle Wang , Mohammad Atif , Meghna Battacharya , Kyle Knoepfel , Charles Leggett , Brett Viren , Haiwang Yu

Portable GPU frameworks such as Kokkos and RAJA reduce the burden of cross-architecture development but typically incur measurable overhead on fundamental parallel primitives relative to vendor-optimized libraries. We present…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-20 Emmanuel Pilliat

As hardware architectures are evolving in the push towards exascale, developing Computational Science and Engineering (CSE) applications depend on performance portable approaches for sustainable software development. This paper describes…

JAX-in-Cell is a fully electromagnetic, multispecies, and relativistic 1D3V Particle-in-Cell (PIC) framework implemented entirely in JAX. It provides a modern, Python-based alternative to traditional PIC frameworks. It leverages…

Plasma Physics · Physics 2025-12-16 Longyu Ma , Rogerio Jorge , Hongke Lu , Aaron Tran , Christopher Woolford

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

GPUs have become the dominant source of computing power for high performance computing and are increasingly being used across the High Energy Physics computing landscape for a wide variety of tasks. Though NVIDIA is currently the main…

Runko is a new open-source plasma simulation framework implemented in C++ and Python. It is designed to function as an easy-to-extend general toolbox for simulating astrophysical plasmas with different theoretical and numerical models.…

Computational Physics · Physics 2022-08-10 J. Nättilä

We introduce $\texttt{A}$strophysical $\texttt{H}$ybrid-$\texttt{K}$inetic simulations with the $\texttt{flASH}$ code ($\texttt{AHKASH}$) -- a new Hybrid particle-in-cell (PIC) code developed within the framework of the multi-physics code…

Instrumentation and Methods for Astrophysics · Physics 2024-09-24 Radhika Achikanath Chirakkara , Christoph Federrath , Amit Seta

A new parallel computing framework has been developed to use with general-purpose radiation transport codes. The framework was implemented as a C++ module that uses MPI for message passing. The module is significantly independent of…

Accelerator Physics · Physics 2012-02-13 M. A. Kostin , N. V. Mokhov , K. Niita

The multi-resolution approximation (MRA) of Gaussian processes was recently proposed to conduct likelihood-based inference for massive spatial data sets. An advantage of the methodology is that it can be parallelized. We implemented the MRA…

Computation · Statistics 2019-05-07 Huang Huang , Lewis R. Blake , Dorit M. Hammerling

Traditionally, high energy physics (HEP) experiments have relied on x86 CPUs for the majority of their significant computing needs. As the field looks ahead to the next generation of experiments such as DUNE and the High-Luminosity LHC, the…

There are now more Particle-in-Cell (PIC) codes than ever before that researchers use to simulate intense laser-plasma interactions. To date, there have been relatively few direct comparisons of these codes in the literature, especially for…

Recently proposed modifications of the standard particle-in-cell (PIC) method resolve long-standing limitations such as exact preservation of physically conserved quantities and unbiased ensemble down-sampling. Such advances pave the way…

Plasma Physics · Physics 2026-03-13 Frida Brogren , Christoffer Olofsson , Joel Magnusson , Arkady Gonoskov

The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD and Intel, respectively, each supporting their own GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-18 Felix Wittwer , Nicholas K. Sauter , Derek Mendez , Billy K. Poon , Aaron S. Brewster , James M. Holton , Michael E. Wall , William E. Hart , Deborah J. Bard , Johannes P. Blaschke

Over the past decades, multiple gyrokinetic codes have shown to be able to simulate turbulence and associated transport in the core of Tokamak devices. However, their application to the edge and scrape-off layer (SOL) region presents…

Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…

Empirical Dynamic Modeling (EDM) is a state-of-the-art non-linear time-series analysis framework. Despite its wide applicability, EDM was not scalable to large datasets due to its expensive computational cost. To overcome this obstacle,…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-27 Keichi Takahashi , Wassapon Watanakeesuntorn , Kohei Ichikawa , Joseph Park , Ryousei Takano , Jason Haga , George Sugihara , Gerald M. Pao

Porting applications to new hardware or programming models is a tedious and error prone process. Every help that eases these burdens is saving developer time that can then be invested into the advancement of the application itself instead…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-07 Erik Zenker , Benjamin Worpitz , René Widera , Axel Huebl , Guido Juckeland , Andreas Knüpfer , Wolfgang E. Nagel , Michael Bussmann

Portability, performance, and productivity are three critical dimensions for evaluating a programming model or compiler infrastructure. Several modern programming models for computational science focus on performance and portability. On the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-01 Brian Kelley , Sivasankaran Rajamanickam