Shape the Material Future with us together, We are creating AI Scientists.

Our research focused on AI for self-driving material discovery. (The AlphaFold in Material Science)

A Research Group focused on AI-Driven Material Discovery

World Record in both Solar Cell (Experiment) and Material Design (Simulation)

Leading by https://research.unsw.edu.au/people/professor-bram-hoex & Tong Xie

Current People

PhD Students Alex Chen(2025), Jeffery Meng(2025)

MPhill Student Qianye Ren

Master Students Ruizhi Xu(2025)

Past Students

Ruizhi Xu(MPhil →)

Yanpeng Ye(MPhil →PhD KAUST)

Wei Huang(Honours → PhD UNSW)

We are looking for talents join us!

MasterAI Group Application

Our Cover Journal Paper

Our Record

<aside> 💡 World 1st Group Using GPT for Material Science Discovery

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Large Language Models as Master Key: Unlocking the Secrets of...