Team Leader／ R&D Project Leader
Yibin XU
Research and Development Theme６：Data Resources
Database team dedicates to accelerating the discovery of next-generation battery materials through data-driven science. Our work integrates large-scale materials databases, machine learning, and experimental validation to deliver innovative solutions for energy storage.
Our Key Projects：
1．AtomWork Battery
A comprehensive database of battery materials, containing chemical compositions, crystal structures, synthesis methods, physical properties, and electrochemical performance data.
2．AtomWork Creator
An AI-powered materials design platform with three core functions:
・Encoding and decoding chemical compositions into custom periodic descriptors.
・Predicting properties from composition, structure, and processing conditions.
・Optimizing target properties across the chemical space to propose new materials.
3．Data-Driven Materials Discovery
By combining AtomWork Battery and AtomWork Creator, we establish a self-improving research cycle—predicting, verifying, and refining candidate materials for high-performance batteries
Our Vision：
By building a robust data infrastructure and applying advanced AI technologies, we aim to enable smarter laboratories, accelerate materials discovery, and contribute to the real-world deployment of next-generation energy storage systems.
