Superior AI Modeling of Large Atomic Systems
In this invention, a deep-learning framework based on atomic graph attention networks (AGAT) is proposed.
Prof. ZHAO Shijun, Dr. ZHANG Jun
- Deep Learning
- Graph Attention Network
- Energy and Force Prediction
- Interatomic Interactions
- Electrocatalyst
- Overpotential
- Mechanical Modulus
- Phase Stability
