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The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…

Instrumentation and Methods for Astrophysics · Physics 2024-08-07 Arjun B. Savel , Megan Bedell , Eliza M. -R. Kempton

In the field of computational fluid dynamics, direct numerical simulations generate highly detailed data for the analysis of turbulent flows by resolving all relevant physical scales. Yet their large size, complexity, and heterogeneity make…

Fluid Dynamics · Physics 2026-03-26 Lorenzo Piu , Heinz Pitsch , Alessandro Parente

We present a new algorithm, MULTIGRAIN, for modelling the dynamics of an entire population of small dust grains immersed in gas, typical of conditions that are found in molecular clouds and protoplanetary discs. The MULTIGRAIN method is…

Instrumentation and Methods for Astrophysics · Physics 2018-02-28 Mark A. Hutchison , Daniel J. Price , Guillaume Laibe

Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be interfaced with the most popular classical molecular dynamics (MD) codes through a simple patching procedure.…

We present interactive data-driven compute overlays for native and web-based 3D geographic map applications based on WebGPU. Our data-driven overlays are generated in a multi-step compute workflow from multiple data sources on the GPU. We…

Graphics · Computer Science 2026-01-12 Patrick Komon , Gerald Kimmersdorfer , Adam Celarek , Manuela Waldner

Low-luminosity Active Galactic Nuclei (AGN) are believed to be surrounded by a collisionless, highly magnetized accretion flow. As a result, Particle-in-Cell simulations are the best tools to study the immediate vicinity of the event…

High Energy Astrophysical Phenomena · Physics 2025-03-07 Alexander Y. Chen , Martin Luepker , Yajie Yuan

Recently, successes have been achieved for the high-order gas-kinetic schemes (HGKS) on unstructured meshes for compressible flows. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU)…

Numerical Analysis · Mathematics 2024-07-02 Yuhang Wang , Waixiang Cao , Liang Pan

PyRadiomics-cuda is a GPU-accelerated extension of the PyRadiomics library, designed to address the computational challenges of extracting three-dimensional shape features from medical images. By offloading key geometric computations to GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-20 Jakub Lisowski , Piotr Tyrakowski , Szymon Zyguła , Krzysztof Kaczmarski

GPUSPH was the first implementation of the weakly-compressible Smoothed Particle Hydrodynamics method to run entirely on GPU using CUDA. Version 5, released in June 2018, features a radical restructuring of the code, offering a more…

Computational Physics · Physics 2023-05-18 Giuseppe Bilotta , Vito Zago , Alexis Hérault , Hendrik D. van Ettinger , Robert A. Dalrymple

The AFiD code, an open source solver for the incompressible Navier-Stokes equations ({\color{blue}\burl{http://www.afid.eu}}), has been ported to GPU clusters to tackle large-scale wall-bounded turbulent flow simulations. The GPU porting…

This paper shows the development of a multi-GPU version of a time-explicit finite volume solver for the Shallow-Water Equations (SWE) on a multi-GPU architecture. MPI is combined with CUDA-Fortran in order to use as many GPUs as needed. The…

Computational Physics · Physics 2023-03-03 Vincent Delmas , Azzedine Soulaïmani

Graphics processing units (GPU) had evolved from a specialized hardware capable to render high quality graphics in games to a commodity hardware for effective processing blocks of data in a parallel schema. This evolution is particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-26 Luis Cabellos

Cardiovascular disease affects millions of people worldwide and its social and economic cost clearly motivates scientific research. Computer simulation can lead to a better understanding of cardiac physiology, and for pathology presents…

Biological Physics · Physics 2023-02-27 Toby Simpson

exa-AMD is a Python-based application designed to accelerate the discovery and design of functional materials by integrating AI/ML tools, materials databases, and quantum mechanical calculations into scalable, high-performance workflows.…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Maxim Moraru , Weiyi Xia , Zhuo Ye , Feng Zhang , Yongxin Yao , Ying Wai Li , Cai-Zhuang Wang

Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…

Computational Physics · Physics 2018-01-25 Oliver Laslett , Jonathon Waters , Hans Fangohr , Ondrej Hovorka

We present MARUT, a scalable multi-GPU computational fluid dynamics (CFD) framework designed for high-fidelity simulations of compressible flows spanning subsonic to hypersonic regimes, including chemically reacting nonequilibrium flows…

Computational Physics · Physics 2026-05-29 Trishit Mondal , Ameya D. Jagtap

We present version 3 of the open-source simulator for flow and transport processes in porous media DuMu$^\text{x}$. DuMu$^\text{x}$ is based on the modular C++ framework Dune (Distributed and Unified Numerics Environment) and is developed…

Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…

Particle-in-Cell Monte Carlo simulations on large-scale systems play a fundamental role in understanding the complexities of plasma dynamics in fusion devices. Efficient handling and analysis of vast datasets are essential for advancing…

We describe a modified version of the NBODY6 code for simulating star clusters which greatly improves computational efficiency while sacrificing little in the way of accuracy. The distant force calculator is replaced by a GPU-enabled…

Instrumentation and Methods for Astrophysics · Physics 2021-11-22 Anthony D. Arnold , Holger Baumgardt , Long Wang
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