Research Interest: Aromaticity; Dinitrogen Activation; AI for Chemistry

We investigate the structure and bonding, reaction mechanisms in organic/organometallic chemistry via quantum chemical calculations/machine learning and test our predictions via tight collaborations with top experimental groups.

The projects funded by NSFC are listed below:

1. Theoretical studies on the metallic silaaromatic and phosphaaromatic compounds (Youth Project)

2. Theoretical studies on transition-metal-bridged bicyclic compounds (General Project)

3. Theoretical study on the sigma-aromaticity in an unsaturated system (General Project)

4. Theoretical study of hyperconjugative aromaticity caused by transition metals (General Project)

5. Theoretical study of metal-free dinitrogen activation (General Project)

6. Adaptive Aromaticity (Key Project)