相关论文: Accelerating moderately stiff chemical kinetics in…

In recent years, coupled with traditional turbulence models, the second-order gas-kinetic scheme (GKS) has been used in the turbulent flow simulations. At the same time, high-order GKS has been developed, such as the two-stage fourth-order…

Over the past decade, GPUs have demonstrated significant potential in accelerating Online Analytical Processing (OLAP) operations. However, there remains a substantial gap in their application to Online Transaction Processing (OLTP), as…

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…

The impact of chemical reactions on the robustness and accuracy of projection-based Reduced-Order Models (ROMs) of fluid flows is investigated. Both Galerkin and Least-Squares Petrov Galerkin ROMs are shown to be less robust in reacting…

This paper considers master equations for Markovian kinetic schemes that possess the detailed balance property. Chemical kinetics, as a prime example, often yields large-scale, highly stiff equations. Based on chemical intuitions, Sumiya et…

To address the issues of stability and accuracy for reaction-diffusion equations, the development of high order and stable time-stepping methods is necessary. This is particularly true in the context of cardiac electrophysiology, where…

Modern deep learning algorithms use variations of gradient descent as their main learning methods. Gradient descent can be understood as the simplest Ordinary Differential Equation (ODE) solver; namely, the Euler method applied to the…

High-fidelity simulations of unsteady fluid flow are now possible with advancements in high-performance computing hardware and software frameworks. Since computational fluid dynamics (CFD) computations are dominated by linear algebraic…

Efficient chemical kinetic model inference and application in combustion are challenging due to large ODE systems and widely separated time scales. Machine learning techniques have been proposed to streamline these models, though strong…

Markov Chain Monte Carlo simulations of lattice Quantum Chromodynamics (QCD) are the only known tool to investigate non-perturbatively the theory of the strong interaction and are required to perform precision tests of the Standard Model of…

The partial oxidation of methane was investigated using a self-stirred reactor under a wide range of operating conditions. The recation mechanism was determined by comparing ecperimental results with the results of simulations made using…

We present MDIRK: a Multifluid second-order Diagonally-Implicit Runge-Kutta method to study momentum transfer between gas and an arbitrary number ($N$) of dust species. The method integrates the equations of hydrodynamics with an Implicit…

In astrophysics, solving complex chemical reaction networks is essential but computationally demanding due to the high dimensionality and stiffness of the ODE systems. Traditional approaches for reducing computational load are often…

The rate constant matrix contraction (RCMC) method, proposed by Sumiya et al. (2015, 2017), enables fast and numerically stable simulations of chemical kinetics on large-scale reaction path networks. Later, Iwata et al. (2023)…

We implemented a GPU based parallel code to perform Monte Carlo simulations of the two dimensional q-state Potts model. The algorithm is based on a checkerboard update scheme and assigns independent random numbers generators to each thread.…

The unified gas kinetic scheme (UGKS) is a direct modeling method based on the gas dynamical model on the mesh size and time step scales. With the implementation of particle transport and collision in a time-dependent flux function, the…

In this paper, we apply the Paired-Explicit Runge-Kutta (P-ERK) schemes by Vermeire et. al. (2019, 2022) to dynamically partitioned systems arising from adaptive mesh refinement. The P-ERK schemes enable multirate time-integration with no…

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…