arXiv AI

AutoMOOSE: An Agentic AI for Autonomous Phase-Field Simulation

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.

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
arXiv AI
Jul 3

Grounded autonomous scrutiny at scale: emergent critique from reproduction of published computational physics papers

arXiv:2604. 12198v2 Announce Type: replace-cross Abstract: Autonomous LLM agents now produce complete research artifacts in machine-learning sandboxes, but real computational physics is harder: experiments are first-principles calculations against re-runnable physical ground truth, and meaningful new work almost always builds on a key existing paper.

By Haonan Huang
arXiv AI
Jun 8

Agentic Physical AI toward a Domain-Specific Foundation Model for Energy Systems: A Case Study on Nuclear Reactor Control

arXiv:2512. 23292v5 Announce Type: replace Abstract: The prevailing paradigm in AI for physical systems: scaling general-purpose foundation models toward universal multimodal reasoning, confronts a barrier at the control interface.

By Yoon Pyo Lee, Samrendra Roy, Kazuma Kobayashi, Sajedul Talukder, Diab Abueidda, Seid Koric, Souvik Chakraborty, Syed Bahauddin Alam
Hugging Face Trending Papers
Jul 13

The Equilibrium Is the Initialization: Lazy Identity Collapse in Physics-Structured Deep Equilibrium Reasoning

Deep equilibrium models promise input-adaptive implicit computation: harder problems should demand more solver iterations, and the solved equilibrium should encode the result of genuine iterative inference. We report a cautionary study of a port-Hamiltonian DEQ with a learned initialization on two reasoning tasks -- ProofWriter entailment over frozen DeBERTa embeddings and a BFS-verified graph-reachability benchmark -- in which the implicit computation is a silent no-op.