Education Background:
BSc (Wuhan University)

PhD (The University of Hong Kong)

Computational simulation of Li-ion battery, Density functional theory calculation on transition metal catalysis, Quantum mechanics/molecular mechanics (QM/MM) simulation of complex biological systems, Theory development for polarizable water models


1. Deng, Q.; Pei, J.; Fan, C.*; Ma, J., Cao, B.*; Jin,Y.; Li, C.; and Li, J.* Nano Energy 2017 accepted. (*corresponding author)

2. Deng, Q.; He, S.-J.; Pei, J.; Fan, C.*; Li, C.; Cao, B.*; Lu, Z.-H.*; Li, J.* Electrochem. Commun. 2017, 75, 29. (*corresponding author)

3. Deng, Q.; Fan, C.*; Wang, L.; Cao, B.*; Jin, Y.; Che, C.-M.; Li, J.* Electrochim. Acta 2016, 222, 1086. (*corresponding author)

4. Wang, F.+Cao, B.+; To, W.-P.; Tse, C.-W.; Li, K.; Chang, X.-Y.; Zang, C.; Chan, S. L.-F.; Che, C.-M. Catal. Sci. Technol.2016, 6, 7408. (? equal contribution)

5. Fung, S. K.; Zou, T.; Cao, B.; Chen, T.; To, W.-P.; Yang, C.; Lok, C.-N.; Che, C.-M. Nat Commun 2016, 7, 10655.

6. Sy, L.-K.; Lok, C.-N.; Wang, J.-Y.; Liu, Y.; Cheng, L.; Wan, P.-K.; Leung, C.-T.; Cao, B.; Kwong, W.-L.; Chang, R. C.-C.; Che, C.-M. Chem. Sci. 2016, 7, 3206.

7. Zou, T.; Zhang, J.-J.; Cao, B.; Tong, K.-C.; Lok, C.-N.; Che, C.-M. Isr. J. Chem. 2016, 56, 825.

8. Fung, S. K.; Zou, T.; Cao, B.; Lee, P.-Y.; Fung, Y. M. E.; Hu, D.; Lok, C.-N.; Che, C.-M., Angew. Chem. Int. Ed. 2017, 56, 3892.

9. Lam, T. L.; Tso, K. C.-H.; Cao, B.; Yang, C.; Chen, D.; Chang, X.-Y.; Huang, J.-S.; Che, C.-M. Inorg. Chem. 2017, 56, 4253.