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With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

Computational Fluid Dynamics (CFD) has become an indispensable tool in the optimization design, and evaluation of aircraft aerodynamics. However, solving the Navier-Stokes (NS) equations is a time-consuming, memory demanding and…

Fluid Dynamics · Physics 2023-12-08 Kuijun Zuo , Zhengyin Ye , Shuhui Bu , Xianxu Yuan , Weiwei Zhang

The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity,…

Fluid Dynamics · Physics 2024-07-31 Neil Ashton , Danielle C. Maddix , Samuel Gundry , Parisa M. Shabestari

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial Intelligence · Computer Science 2026-01-28 Lukas Weidener , Marko Brkić , Mihailo Jovanović , Ritvik Singh , Chiara Baccin , Emre Ulgac , Alex Dobrin , Aakaash Meduri

[Abridged abstract] Large Language Models (LLMs) can solve some undergraduate-level to graduate-level physics textbook problems and are proficient at coding. Combining these two capabilities could one day enable AI systems to simulate and…

Artificial Intelligence · Computer Science 2024-09-04 Mohamad Ali-Dib , Kristen Menou

The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…

Computational Engineering, Finance, and Science · Computer Science 2024-01-17 Michel Takken , Robert Wille

To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale framework was proposed in this paper by applying a physics-guided data-driven approach. Instrumental to this framework, Feature Similarity…

Computational Physics · Physics 2019-10-18 Han Bao , Jinyong Feng , Nam Dinh , Hongbin Zhang

Numerical simulation is one of the mainstream methods in scientific research, typically performed by professional engineers. With the advancement of multi-agent technology, using collaborating agents to replicate human behavior shows…

Multiagent Systems · Computer Science 2026-01-13 Chunwei Yang , Yankai Wang , Jianxiang Tang , Haojie Qu , Ziqiang Zou , YuLiu , Chunrui Deng , Zhifang Qiu , Ming Ding

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need…

Computational Physics · Physics 2018-10-11 Fande Kong , Vitaly Kheyfets , Ender Finol , Xiao-Chuan Cai

The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dynamics (MD) simulation presents a natural test bed to…

Artificial Intelligence · Computer Science 2026-05-12 Vinay Kumar , Satyendra Rajput , Mausam , N. M. Anoop Krishnan

Computational fluid dynamics (CFD) can be used to simulate vascular haemodynamics and analyse potential treatment options. CFD has shown to be beneficial in improving patient outcomes. However, the implementation of CFD for routine clinical…

Computational Fluid Dynamics (CFD) simulations are a very important tool for many industrial applications, such as aerodynamic optimization of engineering designs like cars shapes, airplanes parts etc. The output of such simulations, in…

Computer Vision and Pattern Recognition · Computer Science 2021-03-12 Theodoros Georgiou , Sebastian Schmitt , Thomas Bäck , Nan Pu , Wei Chen , Michael Lew

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial…

Machine Learning · Computer Science 2024-02-26 Yining Luo , Yingfa Chen , Zhen Zhang

The impending termination of Moore's law motivates the search for new forms of computing to continue the performance scaling we have grown accustomed to. Among the many emerging Post-Moore computing candidates, perhaps none is as salient as…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-03 Martin Karp , Artur Podobas , Tobias Kenter , Niclas Jansson , Christian Plessl , Philipp Schlatter , Stefano Markidis

Recent advances in generative AI have accelerated the discovery of novel chemicals and materials. However, scaling these discoveries to industrial production remains a major bottleneck due to the synthesis gap -- the need to develop…

Machine Learning · Computer Science 2025-08-19 Sakhinana Sagar Srinivas , Shivam Gupta , Venkataramana Runkana

Computational fluid dynamics (CFD) is a specialised branch of fluid mechanics that utilises numerical methods and algorithms to solve and analyze fluid-flow problems. One promising avenue to enhance CFD is the use of quantum computing,…

Quantum Physics · Physics 2025-07-01 Javier Gonzalez-Conde , Dylan Lewis , Sachin S. Bharadwaj , Mikel Sanz

Computational fluid dynamics (CFD) has become a cornerstone of modern water engineering, providing quantitative tools for the analysis, prediction, and management of complex hydraulic systems across a wide range of spatial and temporal…

Fluid Dynamics · Physics 2025-12-19 Anshu Kumar , Kemi Olimba , Vyacheslav Kungurtsev , Fabio V. Difonzo

Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on…

We show that multi-agent systems guided by vision-language models (VLMs) improve end-to-end autonomous scientific discovery. By treating plots as verifiable checkpoints, a VLM-as-a-judge evaluates figures against dynamically generated…

Computation and Language · Computer Science 2025-11-19 Kahaan Gandhi , Boris Bolliet , Inigo Zubeldia