Autonomous Multi-objective Alloy Design through Simulation-guided Optimization
The paper presents AutoMAT, an autonomous hierarchical framework that integrates large language models, automated CALPHAD simulations, and AI-guided optimization to efficiently discover and experimentally validate high-performance alloys, successfully identifying a lightweight titanium alloy and a high-entropy alloy with superior properties while compressing the discovery timeline from years to weeks.
Penghui Yang, Chendong Zhao, Bijun Tang, Zhonghan Zhang, Xinrun Wang, Yanchen Deng, Xuyu Dong, Yuhao Lu, Jianguo Huang, Yixuan Li, Yushan Xiao, Cuntai Guan, Zheng Liu, Bo An2026-04-16🔬 cond-mat.mtrl-sci