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The task of integrating a large number of independent ODE systems arises in various scientific and engineering areas. For nonstiff systems, common explicit integration algorithms can be used on GPUs, where individual GPU threads…

Mathematical Software · Computer Science 2016-11-09 Kyle E Niemeyer , Chih-Jen Sung

A fifth-order implicit Runge-Kutta method and two fourth-order exponential integration methods equipped with Krylov subspace approximations were implemented for the GPU and paired with the analytical chemical kinetic Jacobian software…

Computational Physics · Physics 2017-03-30 Nicholas J. Curtis , Kyle E. Niemeyer , Chih-Jen Sung

The current paper reports on the implementation of a numerical solver on the Graphic Processing Units (GPU) to model reactive gas mixture with detailed chemical kinetics. The solver incorporates high-order finite volume methods for solving…

Fluid Dynamics · Physics 2011-10-25 H. P. Le , J. -L. Cambier

Efficient ordinary differential equation solvers for chemical kinetics must take into account the available thread and instruction-level parallelism of the underlying hardware, especially on many-core coprocessors, as well as the numerical…

Computational Physics · Physics 2018-03-28 Christopher P. Stone , Andrew T. Alferman , Kyle E. Niemeyer

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

We focus on implementing and optimizing a sixth-order finite-difference solver for simulating compressible fluids on a GPU using third-order Runge-Kutta integration. Since graphics processing units perform well in data-parallel tasks, this…

Computational Physics · Physics 2017-07-28 Johannes Pekkilä , Miikka S. Väisälä , Maarit J. Käpylä , Petri J. Käpylä , Omer Anjum

Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating complex combustion phenomena. In this study, a Neural Ordinary Differential Equation (Neural ODE) framework is employed to optimize kinetics parameters…

Chemical Physics · Physics 2022-09-07 Xingyu Su , Weiqi Ji , Jian An , Zhuyin Ren , Sili Deng , Chung K. Law

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

The high cost of chemistry integration is a significant computational bottleneck for realistic reactive-flow simulations using operator splitting. Here we present a methodology to accelerate the solution of the chemical kinetic ordinary…

Computational Physics · Physics 2022-05-13 Nicholas J. Curtis , Kyle E. Niemeyer , Chih-Jen Sung

A combination of a steady-state preserving operator splitting method and a semi-implicit integration scheme is proposed for efficient time stepping in simulations of unsteady reacting flows, such as turbulent flames, using detailed chemical…

Computational Physics · Physics 2017-12-05 Hao Wu , Peter C. Ma , Matthias Ihme

A general purpose, modular program package for the integration of large number of independent ordinary differential equation systems capable of using professional graphics cards is presented. The available numerical schemes are the explicit…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-10 Ferenc Hegedűs

In this paper, the fourth-order explicit Runge-Kutta method (RK4) is used to make a Deferred Correction (DC) on the explicit midpoint rule, resulting in an explicit one-step method of order six of accuracy, denoted DC6RK2/4. Convergence and…

Numerical Analysis · Mathematics 2025-12-23 Saint Cyr E. R. Koyaguerebo-Imé

We demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely…

Computational Physics · Physics 2016-08-01 Benjamin Brock , Andrew Belt , Jay Jay Billings , Mike Guidry

Many time-dependent partial differential equations (PDEs) can be transformed into an ordinary differential equations (ODEs) containing moderately stiff and non-stiff terms after spatial semi-discretization. In the present paper, we…

Numerical Analysis · Mathematics 2025-09-23 Xiao Tang , Junwei Huang

Simulating complex astrophysical reacting flows is computationally expensive -- reactions are stiff and typically require implicit integration methods. The reaction update is often the most expensive part of a simulation, which motivates…

Instrumentation and Methods for Astrophysics · Physics 2023-12-25 Parker Johnson , Michael Zingale , Eric T. Johnson , Alexander Smith , Kyle E. Niemeyer

This paper introduces open-source computational fluid dynamics software named open computational fluid dynamic code for scientific computation with graphics processing unit (GPU) system (OpenCFD-SCU), developed by the authors for direct…

Fluid Dynamics · Physics 2022-12-21 Guanlin Dang , Shiwei Liu , Tongbiao Guo , Junyi Duan , Xinliang Li

The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. These models often require solving a system…

Computational Physics · Physics 2024-03-05 Tadbhagya Kumar , Anuj Kumar , Pinaki Pal

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 realized stochastic volatility (RSV) model that utilizes the realized volatility as additional information has been proposed to infer volatility of financial time series. We consider the Bayesian inference of the RSV model by the Hybrid…

Computational Finance · Quantitative Finance 2016-11-28 Tetsuya Takaishi

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability…

Machine Learning · Computer Science 2025-09-01 Wenqing Peng , Zhi-Song Liu , Michael Boy
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