(Depth/Challenge, Novelty/Innovation, Belief/Persistence)
His research interests focus on multi-scale simulations of complex homogeneous catalysis on chemical, and biochemical systems, including
1. Mechanisms & design of sustainable/bio-inspired catalysis (involving 1st-row transition metals or complex bio-inspired reaction environments);
2. Mechanisms & design of biocatalysis (including natural and artificial ones);
3. Mechanisms & Quantum Tunneling in photochemistry;
4. Development & application of multi-scale simulation methods.
Some of our proposed new mechanisms were supported or verified by experiments. Two of our proposed mechanisms can be collected and discussed in 《Organotransition Metal Chemistry》textbook and 《Encyclopedia of Biophysics》.
He published 68 papers (e.g. 1*Chem. Rev., 1*Acc. Chem. Res., 17*J. Am. Chem. Soc., 3*Angew. Chem. Int. Ed., 4*Nat. Commun., 5*Chem. Sci., 4*ACS Catal., 5*JPC, 4*J. Chem. Theory Comput., 4*OL, 2*CC, 1*IC) as well as 3 Wiley book chapters. His Web of Science citations ~2600 (~2450 citations excluding self-citations)，H-index: 28.
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