Specialized Database and AI
--- We build Specialized database and AI that is super data rich in specific materials science domain
The Materials Genome Initiative has given rise to many highly successful general materials databases, such as the Materials Project. Unlike broad databases represented by the Materials Project, our group is dedicated to build databases focusing on local yet significant domains within materials science. We aim to provide a richer collection of materials and more detailed domain knowledge for specific types of materials, accepting the trade-off of not encompassing all materials. We host millions of DFT-computed materials in the fields of energy storage and conversion, typically including metal alloys, metal oxides, and hybrid materials.
Compatibility map for high entropy materials. (Link to the paper)
Representative Papers (Dataset can be found in data & code page)
- NASICON dataset with 3881 DFT computed compositions for solid-state batteries
- HE-DRX dataset with 7965 DFT computed compositions for high entropy and high rate Li-ion cathodes
- MAX dataset with 425 DFT computed potential electrodes and their electrochemical performance for Al-ion battery
- HEA dataset with 72,387 DFT computed high entropy alloys
- Carbon supported single atom catalysis dataset with 560 adsorption energies
- Intermetallic surface dataset with 12,057 synthesizible intermetallic surfaces