Related papers: nekCRF: A next generation high-order reactive low …

We discuss pioneering heat and fluid flow simulations of fusion and fission energy systems with NekRS on exascale computing facilities, including Frontier and Aurora. The Argonne-based code, NekRS, is a highly-performant open-source code…

Recent trends and advancement in including more diverse and heterogeneous hardware in High-Performance Computing is challenging software developers in their pursuit for good performance and numerical stability. The well-known maxim…

In the realm of Computational Fluid Dynamics (CFD), the demand for memory and computation resources is extreme, necessitating the use of leadership-scale computing platforms for practical domain sizes. This intensive requirement renders…

We present new results on the strong parallel scaling for the OpenACC-accelerated implementation of the high-order spectral element fluid dynamics solver Nek5000. The test case considered consists of a direct numerical simulation of…

Mixed-precision computing has the potential to significantly reduce the cost of exascale computations, but determining when and how to implement it in programs can be challenging. In this article, we propose a methodology for enabling…

The present paper addresses the development and implementation of the first high-order Flux Reconstruction (FR) solver for high-speed flows within the open-source COOLFluiD (Computational Object-Oriented Libraries for Fluid Dynamics)…

We demonstrate NekRS performance results on various advanced GPU architectures. NekRS is a GPU-accelerated version of Nek5000 that targets high performance on exascale platforms. It is being developed in DOE's Center of Efficient Exascale…

We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…

The development of NekRS, a GPU-oriented thermal-fluids simulation code based on the spectral element method (SEM) is described. For performance portability, the code is based on the open concurrent compute abstraction and leverages…

We present a cross-architecture high-order heterogeneous Navier-Stokes simulation solver, XFluids, for compressible reacting multicomponent flows on different platforms. The multi-component reacting flows are ubiquitous in many scientific…

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…

Multiphase turbulent flow phenomena are observed not only in industrial devices but also in environmental flows, and direct numerical simulation (DNS) plays a key role in their investigation. Many numerical models have been developed;…

Nek5000/RS is a highly-performant open-source spectral element code for simulation of incompressible and low-Mach fluid flow, heat transfer, and combustion with a particular focus on turbulent flows in complex domains. It is based on…

In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…

Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…

Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…

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…

The energy transition challenges operational tasks based on simulations and optimisation. These computations need to be fast and flexible as the grid is ever-expanding, and renewables' uncertainty requires a flexible operational…

Non-equilibrium effects play a vital role in high-speed and rarefied gas flows and the accurate simulation of these flow regimes are far beyond the capability of near-local-equilibrium Navier-Stokes-Fourier equations. Eu proposed…

In this paper, we present a methodology to achieve high-fidelity simulations of chemically reacting hypersonic flows and demonstrate our numerical solver's capabilities on a selection of configurations. The numerical tools are developed…