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Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent…

Artificial Intelligence · Computer Science 2025-10-02 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Shaowu Pan

This work presents a large language model (LLM)-based agent OpenFOAMGPT tailored for OpenFOAM-centric computational fluid dynamics (CFD) simulations, leveraging two foundation models from OpenAI: the GPT-4o and a chain-of-thought…

Fluid Dynamics · Physics 2025-12-09 Sandeep Pandey , Ran Xu , Wenkang Wang , Xu Chu

Computational fluid dynamics (CFD) has been the main workhorse of computational physics. Yet its steep learning curve and fragmented, multi-stage workflow create significant barriers. To address these challenges, we present Foam-Agent, a…

Artificial Intelligence · Computer Science 2026-03-06 Ling Yue , Nithin Somasekharan , Tingwen Zhang , Yadi Cao , Zhangze Chen , Shimin Di , Shaowu Pan

In modern engineering practice, human engineers collaborate in specialized teams to design complex products, with each expert completing their respective tasks while communicating and exchanging results and data with one another. While this…

Artificial Intelligence · Computer Science 2025-11-04 Ran Xu , Yupeng Qi , Jingsen Feng , Xu Chu

Remarkable progress has been made in automated problem solving through societies of agents based on large language models (LLMs). Computational fluid dynamics (CFD), as a complex problem, presents unique challenges in automated simulations…

Artificial Intelligence · Computer Science 2024-08-08 Yuxuan Chen , Xu Zhu , Hua Zhou , Zhuyin Ren

We introduce CFDagent, a zero-shot, multi-agent system that enables fully autonomous computational fluid dynamics (CFD) simulations from natural language prompts. CFDagent integrates three specialized LLM-driven agents: (i) the…

Fluid Dynamics · Physics 2025-11-13 Zhaoyue Xu , Long Wang , Chunyu Wang , Yixin Chen , Qingyong Luo , Hua-Dong Yao , Shizhao Wang , Guowei He

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

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

Computational Fluid Dynamics (CFD) is critical for scientific advancement but is hindered by operational complexity and high expertise barriers. This paper introduces ChatCFD, a Large Language Model (LLM)-driven multi-agent system designed…

Computation and Language · Computer Science 2026-02-10 E Fan , Kang Hu , Zhuowen Wu , Jiangyang Ge , Jiawei Miao , Yuzhi Zhang , He Sun , Weizong Wang , Tianhan Zhang

Large language models (LLMs) are establishing new paradigms for engineering applications by enabling natural language control of complex computational workflows. This paper introduces FeaGPT, the first framework to achieve complete…

Software Engineering · Computer Science 2025-10-28 Yupeng Qi , Ran Xu , Xu Chu

We investigate the use of tool-using coding agents to automate end-to-end workflows in the open-source CFD package OpenFOAM. Building on general-purpose coding agent interfaces, we introduce a lightweight configuration that guides an agent…

Fluid Dynamics · Physics 2026-02-13 Ke Xiao , Haoze Zhang , Yangchen Xu , Runze Mao , Han Li , Zhi X. Chen

Molecular dynamics (MD) simulation is a powerful tool for studying biomolecular structural changes, molecular recognition, transmembrane transport, and functional mechanisms. However, its practical bottleneck lies not only in software…

Quantitative Methods · Quantitative Biology 2026-04-22 Zhenyu Ma , Chunyi Yang , Yuyang Song , Jingyi Zhu , Letian Yang , Limei Xu , Min Xiao , Xukai Jiang

Computational Fluid Dynamics (CFD) is widely used in aerospace, energy, and biology to model fluid flow, heat transfer, and chemical reactions. While Large Language Models (LLMs) have transformed various domains, their application in CFD…

Artificial Intelligence · Computer Science 2025-02-04 Yuxuan Chen , Xu Zhu , Hua Zhou , Zhuyin Ren

Thanks to the computational power of modern cluster machines, numerical simulations can provide, with an unprecedented level of details, new insights into fluid mechanics. However, taking full advantage of this hardware remains challenging…

Fluid Dynamics · Physics 2022-09-14 F. Brogi , S. Bnà , G. Boga , G. Amati , T. Esposti Ongaro , M. Cerminara

Merging natural language interfaces with computational fluid dynamics (CFD) workflows presents transformative opportunities for both industry and research. In this study, we introduce OptMetaOpenFOAM - a novel framework that bridges…

Artificial Intelligence · Computer Science 2025-03-04 Yuxuan Chen , Long Zhang , Xu Zhu , Hua Zhou , Zhuyin Ren

The aerodynamic design of turbomachinery is a complex and tightly coupled multi-stage process involving geometry generation, performance prediction, optimization, and high-fidelity physical validation. Existing intelligent design approaches…

Artificial Intelligence · Computer Science 2026-04-10 Juan Du , Yueteng Wu , Pan Zhao , Yuze Liu , Min Zhang , Xiaobin Xu , Xinglong Zhang

Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet…

Artificial Intelligence · Computer Science 2026-03-16 Pascal Schäfer , Lukas J. Krinke , Martin Wlotzka , Norbert Asprion

Significant advances have been achieved in leveraging foundation models, such as large language models (LLMs), to accelerate complex scientific workflows. In this work we introduce FoamPilot, a proof-of-concept LLM agent designed to enhance…

Artificial Intelligence · Computer Science 2024-12-24 Leidong Xu , Danyal Mohaddes , Yi Wang

The rapid evolution of large language models (LLMs) is transforming artificial intelligence into autonomous research partners, yet a critical gap persists in complex scientific domains such as combustion modeling. Here, practical AI…

Machine Learning · Computer Science 2026-01-06 Ke Xiao , Haoze Zhang , Runze Mao , Han Li , Zhi X. Chen

The study of multiphase flows in porous media is fundamental to various fields, including oil recovery, CO2 sequestration, hydrogeology, and others. Accurate predictions of fluid behavior in these systems can enhance process efficiency…

Fluid Dynamics · Physics 2025-09-17 Roberto Lange , Gabriel M. Magalhães , Franciane F. Rocha , Hélio R. Neto
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