arXiv AI By Wanyu Zhao, Wanbing Zhao

Exploring Structures in Physics Problems: Can AI Agents Discover Statistical Mechanical Mappings?

Read the original on arXiv AI →

arXiv:2607. 26367v1 Announce Type: new Abstract: An important skill in theoretical physics is to recognize when a new problem can be transformed into a known model.

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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
5d ago

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

arXiv:2512. 19799v2 Announce Type: replace Abstract: Advances in LLM reasoning and tool use have enabled agentic science, yet frontier theoretical and computational physics remains challenging because research requires deep domain expertise, long-horizon reasoning, and reliable numerical computation.

By Tingjia Miao, Wenkai Jin, Jinxin Tan, Muhua Zhang, Xianghe Pang, Zexi Liu, Yuwen Du, Tian Jin, Tu Guo, Zhengliang Zhang, Jingkun Liu, Yuelin Hu, Jiejun Zhang, Yunjie Huang, Yuhan Wang, Wenbo Li, Yinuo Gao, Shuo Chen, Rui Ye, Yuzhi Zhang, Linfeng Zhang, Kun Chen, Wei Wang, Weinan E, Siheng Chen