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Computational fluid dynamics (CFD) in combination with patient-specific medical images has been used to correlate flow phenotypes with disease initiation, progression and outcome, in search of a prospective clinical tool. A large number of…

Fluid Dynamics · Physics 2023-05-26 Henrik A. Kjeldsberg , Joakim Sundnes , Kristian Valen-Sendstad

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…

Computational fluid dynamics (CFD) is a branch of fluid mechanics that uses numerical methods to solve fluid flows. The finite volume method (FVM) is an important one. In FVM, space is discretized to many grid cells. When the number of grid…

Existing interventional causal discovery methods -- IGSP, DCDI, ENCO -- assume causal sufficiency (no latent confounders) and rely on virtual interventions in synthetic simulators. In AI-for-Science settings such as molecular design and…

Machine Learning · Computer Science 2026-05-11 Tsuyoshi Okita

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

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

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

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…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has…

Fluid Dynamics · Physics 2026-05-28 Daniel Curl , Han Hu

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when…

Materials Science · Physics 2026-05-27 Penghui Yang , Zhonghan Zhang , Yue Li , Xinrun Wag , Yanchen Deng , Yuhao Lu , Bijun Tang , Zheng Liu , Bo An

Despite rapid improvements in the performance of central processing unit (CPU), the calculation cost of simulating chemically reacting flow using CFD remains infeasible in many cases. The application of the convolutional neural networks…

Machine Learning · Computer Science 2023-07-26 Joongoo Jeon , Juhyeong Lee , Sung Joong Kim

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aides to human scientists, e.g. for…

Artificial Intelligence · Computer Science 2024-09-04 Chris Lu , Cong Lu , Robert Tjarko Lange , Jakob Foerster , Jeff Clune , David Ha

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

Imagine decision-makers uploading data and, within minutes, receiving clear, actionable insights delivered straight to their fingertips. That is the promise of the AI Data Scientist, an autonomous Agent powered by large language models…

Artificial Intelligence · Computer Science 2025-08-26 Farkhad Akimov , Munachiso Samuel Nwadike , Zangir Iklassov , Martin Takáč

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

Artificial Intelligence · Computer Science 2025-08-19 Yinggan Xu , Hana Kimlee , Yijia Xiao , Di Luo

Computational Fluid Dynamics (CFD) simulation by the numerical solution of the Navier-Stokes equations is an essential tool in a wide range of applications from engineering design to climate modeling. However, the computational cost and…

Computational Physics · Physics 2021-11-29 Mateus Dias Ribeiro , Abdul Rehman , Sheraz Ahmed , Andreas Dengel

Computational fluid dynamics (CFD) in many cases requires designing 3D models manually, which is a tedious task that requires specific skills. In this paper, we present a novel method for performing CFD directly on scanned 3D point clouds.…

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

Computational fluid dynamics (CFD) is an important tool for the simulation of the cardiovascular function and dysfunction. Due to the complexity of the anatomy, the transitional regime of blood flow in the heart, and the strong mutual…

Despite the surge of interest in autonomous scientific discovery (ASD) of software artifacts (e.g., improved ML algorithms), current ASD systems face two key limitations: (1) they largely explore variants of existing codebases or similarly…