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A neural-networks predictor library has been developed to deploy machine learning (ML) models into computational fluid dynamics (CFD) codes. The pointer-to-implementation strategy is adopted to isolate the implementation details in order to…
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…
Distributed LLM serving is costly and often underutilizes hardware accelerators due to three key challenges: bubbles in pipeline-parallel deployments caused by the bimodal latency of prompt and token processing, GPU memory overprovisioning,…
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…
Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder,…
Hydrogen fuel cells are a key technology in the transition toward carbon-neutral energy systems, offering clean power with water as the only byproduct. Microfluidic fuel cells, which operate at the microliter scale, are an emerging variant…
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time…
Diffusion-based large language models (dLLMs) have recently gained significant attention for their exceptional performance and inherent potential for parallel decoding. Existing frameworks further enhance its inference efficiency by…
The present study provides a systematic derivation of a phase-field version of the momentum, mass and heat transport equations, while accounting for chemical reactions in the fluid phase. To achieve this goal, the volume averaging technique…
We present a generative AI algorithm for addressing the pressing task of fast, accurate, and robust statistical computation of three-dimensional turbulent fluid flows. Our algorithm, termed as GenCFD, is based on an end-to-end conditional…
We present a hybrid continuum-atomistic scheme which combines molecular dynamics (MD) simulations with on-the-fly machine learning techniques for the accurate and efficient prediction of multiscale fluidic systems. By using a Gaussian…
QubitSolve is working on a quantum solution for computational fluid dynamics (CFD). We have created a variational quantum CFD (VQCFD) algorithm and a 2D Software Prototype based on it. By testing the Software Prototype on a quantum…
Turbulent flow physics regulates the aerodynamic properties of lifting surfaces, the thermodynamic efficiency of vapor power systems, and exchanges of natural and anthropogenic quantities between the atmosphere and ocean, to name just a few…
We explore the applicability of MATLAB for 3D computational fluid dynamics (CFD) of shear-driven indoor airflows. A new scale-resolving, large-eddy simulation (LES) solver titled DNSLABIB is proposed for MATLAB utilizing graphics processing…
Accurate and efficient numerical simulation of ammonia combustion is critical for advancing ammonia-based energy systems, where turbulent flame dynamics and pollutant formation strongly affect practical applicability. However, such…
Recently, the increasing use of deep reinforcement learning for flow control problems has led to a new area of research, focused on the coupling and the adaptation of the existing algorithms to the control of numerical fluid dynamics…
Thermodynamic models are often vital when characterising complex systems, particularly natural gas, electrolyte, polymer, pharmaceutical and biological systems. However, their implementations have historically been abstruse and cumbersome,…
This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…
Integrating computational fluid dynamics (CFD) solvers into optimization and machine-learning frameworks is hampered by the rigidity of classic computational languages and the slow performance of more flexible high-level languages. In this…
Data-driven methods demonstrate considerable potential for accelerating the inherently expensive computational fluid dynamics (CFD) solvers. Nevertheless, pure machine-learning surrogate models face challenges in ensuring physical…