Key Research Tasks:
- [1] Electronic structure origin of high energy and insensitivity.
- [2] Energy dissipation kinetics of micro/nano crystal defects.
- [3] Energy release rate and external field coupling criteria.
- [4] Multi-scale high-throughput reverse design using ML and DFT.
Ultimate Objective: Ultimate goal is to establish a unified theoretical framework for next-generation inherently safe high-energy systems.