CyberMAGICS

This project trains urgently needed materials cyber-workforce at the nexus of exascale computing, artificial intelligence (AI) and quantum computing.
We develop training modules for a new generation of quantum materials simulator, AIQ-XMaS (AI & quantum-computing enabled exascale materials simulator), which integrates exascalable quantum, reactive and neural-network molecular dynamics simulations with unique AI and quantum-computing capabilities to study a wide range of materials and devices of high societal impact.