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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

Configuring computational fluid dynamics (CFD) simulations requires significant expertise in physics modeling and numerical methods, posing a barrier to non-specialists. Although automating scientific tasks with large language models (LLMs)…

Software Engineering · Computer Science 2025-12-10 Zhehao Dong , Shanghai Du , Zhen Lu , Yue Yang

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

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

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

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

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Recent advances in large language models (LLMs) have substantially enhanced automated code generation across a wide range of programming languages. Nonetheless, verifying the correctness and executability of LLM-generated code remains a…

Programming Languages · Computer Science 2026-01-14 Xinkui Zhao , Yifan Zhang , Zhengyi Zhou , Yueshen Xu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Large language models (LLM) exhibit broad utility but face limitations in quantum sensor development, stemming from interdisciplinary knowledge barriers and involving complex optimization processes. Here we present QCopilot, an LLM-based…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

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

Autonomous machine learning research has gained significant attention recently. We present MLR-COPILOT, an autonomous Machine Learning Research framework powered by large language model agents. The system is designed to enhance ML research…

Artificial Intelligence · Computer Science 2025-11-18 Ruochen Li , Teerth Patel , Qingyun Wang , Xinya Du

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

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG)…

Artificial Intelligence · Computer Science 2024-09-12 Vansh Sharma , Venkat Raman

Effective prompt engineering is critical to realizing the promised productivity gains of large language models (LLMs) in knowledge-intensive tasks. Yet, many users struggle to craft prompts that yield high-quality outputs, limiting the…

Human-Computer Interaction · Computer Science 2025-10-02 Niklas Gutheil , Valentin Mayer , Leopold Müller , Jörg Rommelt , Niklas Kühl

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…

Fluid Dynamics · Physics 2023-07-17 Runze Mao , Minqi Lin , Yan Zhang , Tianhan Zhang , Zhi-Qin John Xu , Zhi X. Chen

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Recent advancement of large language models (LLMs) represents a transformational capability at the frontier of artificial intelligence. However, LLMs are generalized models, trained on extensive text corpus, and often struggle to provide…

Large language models (LLMs) in the direction of task adaptation and capability enhancement for professional fields demonstrate significant application potential. Nevertheless, for complex physical systems such as combustion science,…

Computation and Language · Computer Science 2026-03-23 Quanjia Xiao , Weimin Ouyang , Zonglin Yang , Tianhao Wu , Qingguo Zhou , Runze Mao , Zhi X. Chen
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