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A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…

Computational Engineering, Finance, and Science · Computer Science 2021-11-16 Matthew L. Dawson , Christian Guzman , Jeffrey H. Curtis , Mario Acosta , Shupeng Zhu , Donald Dabdub , Andrew Conley , Matthew West , Nicole Riemer , Oriol Jorba

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,…

High-speed chemically active flows present significant computational challenges due to their disparate space and time scales, where stiff chemistry often dominates simulation time. While modern supercomputing scientific codes achieve…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-04 Anthony Carreon , Jagmohan Singh , Shivank Sharma , Shuzhi Zhang , Venkat Raman

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…

Computational Physics · Physics 2009-12-17 Ferenc Molnar , Tamas Szakaly , Robert Meszaros , Istvan Lagzi

Large Eddy Simulation is a critical modelling tool for the investigation of atmospheric flows, turbulence and cloud microphysics. The models used by the UK atmospheric research community are homogeneous and the latest model, MONC, is…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-29 Nick Brown , Angus Lepper , Michèle Weiland , Adrian Hill , Ben Shipway , Chris Maynard

We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…

Soft Condensed Matter · Physics 2018-08-01 Michael P. Howard , Athanassios Z. Panagiotopoulos , Arash Nikoubashman

Clawpack is a library for solving nonlinear hyperbolic partial differential equations using high-resolution finite volume methods based on Riemann solvers and limiters. It supports Adaptive Mesh Refinement (AMR), which is essential in…

Mathematical Software · Computer Science 2018-08-09 Xinsheng Qin , Randall J. LeVeque , Michael R. Motley

The chemistry of an astrophysical environment is closely coupled to its dynamics, the latter often found to be complex. Hence, to properly model these environments a 3D context is necessary. However, solving chemical kinetics within a 3D…

Computational Physics · Physics 2024-05-07 S. Maes , F. De Ceuster , M. Van de Sande , L. Decin

This paper presents a heterogeneous adaptive mesh refinement (AMR) framework for efficient simulation of moderately stiff reactive problems. This framework features an elaborate subcycling-in-time algorithm along with a specialized…

Computational Physics · Physics 2025-06-04 Yuqi Wang , Yadong Zeng , Ralf Deiterding , Jianhan Liang

BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…

Instrumentation and Methods for Astrophysics · Physics 2025-01-14 Yifu An , Yuxi Chen , Hongyang Zhou , Alexander Gaenko , Gábor Tóth

Chemical transport models (CTMs), which simulate air pollution transport, transformation, and removal, are computationally expensive, largely because of the computational intensity of the chemical mechanisms: systems of coupled differential…

Atmospheric and Oceanic Physics · Physics 2018-08-14 Makoto M. Kelp , Christopher W. Tessum , Julian D. Marshall

The main components of an atmospheric model for numerical weather prediction are the dynamical core, which describes the resolved flow, and the physical parametrisations, which capture the effects of unresolved processes. Additionally,…

Numerical Analysis · Mathematics 2023-10-03 Alex Brown , Thomas M. Bendall , Ian Boutle , Thomas Melvin , Ben Shipway

AI-based methods have revolutionized atmospheric forecasting, with recent successes in medium-range forecasting spurring the development of climate foundation models. Accurate modeling of complex atmospheric dynamics at high spatial…

Machine Learning · Computer Science 2025-07-09 Deifilia Kieckhefen , Markus Götz , Lars H. Heyen , Achim Streit , Charlotte Debus

We present the acceleration of an IMplicit-EXplicit (IMEX) non-hydrostatic atmospheric model on manycore processors such as GPUs and Intel's MIC architecture. IMEX time integration methods sidestep the constraint imposed by the…

We present the newly developed code, GAMER (GPU-accelerated Adaptive MEsh Refinement code), which has adopted a novel approach to improve the performance of adaptive mesh refinement (AMR) astrophysical simulations by a large factor with the…

Instrumentation and Methods for Astrophysics · Physics 2010-02-08 Hsi-Yu Schive , Yu-Chih Tsai , Tzihong Chiueh

A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…

Computational Physics · Physics 2013-10-10 You-Liang Zhu , Hong Liu , Zhan-Wei Li , Hu-Jun Qian , Giuseppe Milano , Zhong-Yuan Lu

Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-02-22 Amol Salunkhe , Dwyer Deighan , Paul DesJardin , Varun Chandola

The study of aerosol formation and chemistry using machine learning is limited by the lack of molecular descriptors suited to atmospheric compounds. Interpretable models are particularly affected because they often rely on dictionary-based…

Chemical Physics · Physics 2025-10-24 Linus Lind , Hilda Sandström , Patrick Rinke

With the growing role of artificial intelligence in climate and weather research, efficient model training and inference are in high demand. Current models like FourCastNet and AI-GOMS depend heavily on GPUs, limiting hardware independence,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-22 Yuze Sun , Wentao Luo , Yanfei Xiang , Jiancheng Pan , Jiahao Li , Quan Zhang , Xiaomeng Huang
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