
Editor-in-Chief: Prof. Zongyou Yin, Australian National University, Australia.
AI for Materials is a gold open-access, peer-reviewed journal that aims to bridge the dynamic fields of artificial intelligence (AI) and advanced materials research. The journal’s mission is to provide a dedicated, high-impact platform for researchers, engineers, and practitioners to publish pioneering studies that leverage AI-driven methodologies to enhance the discovery, design, development, and application of materials across different scales. More
Driving Catalytic Innovation: The Development and Application of Machine Learning Force Fields
Xiaoyi Hu, Guanjie Wang, Cuilian Wen, Baisheng Sa
2026, 1(1): 5
Let Materials Science Data Learn to Reason
Tongao Yao, Aoni Xu, Pengfei Ou, Weijie Yang
2026, 1(1): 4
Supervised Machine Learning Assisted Development of Hybrid Solvation Model for Simulating Graphene-Water Interface
Jordan Clive Barker, William Wen, Yun Wang
2026, 1(1): 3
Data Speaks: LLM-Enabled Evidence Auditing Resets the “Migration Barrier” Playbook for Solid-State Electrolytes
Limin Li, Kan Xu, Rui Su, Huan Gu, Piao Ma
2026, 1(1): 2
Zongyou Yin
2026, 1(1): 1