arXiv AI By Sukriti Manna, Henry Chan, Subramanian K. R. S. Sankaranarayanan

AutoMOOSE: An Agentic AI for Autonomous Phase-Field Simulation

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arXiv:2603. 20986v2 Announce Type: replace Abstract: Phase-field modeling links thermodynamics and kinetics to microstructural evolution, but multiphysics frameworks such as MOOSE require expertise to construct inputs, manage campaigns, diagnose failures, and validate results.

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arXiv AI
2d ago

Mimir: Physics-Grounded LLM Agents for Long-Horizon Irrigation Control

Mimir is a physics‑grounded large language model agent designed for long‑horizon irrigation control. It operates on two timescales: a fast scale that uses a structured physical interface and deterministic simulator to validate and refine LLM proposals before execution, and a slow scale that consolidates recurrent failure patterns into persistent contextual principles. Across multiple sites, crops, and years, Mimir achieves the lowest aggregate control cost and reduces irrigation usage by about 51% compared to historical schedules, while ablation studies confirm the importance of forward simulation, verified revision, and persistent context.

By Yimeng Liu, Mi Zhang, Younsuk Dong, Zhichao Cao
arXiv AI
Jun 6

AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: 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 unexpected physics emerges, and inserting steps as intermediate results reshape the problem.

By Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wang, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An