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Welcome to Our CCC Lab!
We focus on uncovering the mechanisms of chemical reactions and developing concepts for both heterogeneous and homogeneous catalysis through systematic structural calculations. Our research involves exploring the catalytic activity of materials via detailed structural investigations. By combining computational calculation with chemical knowledge, we aim to guide the design of more efficient and innovative catalysts.
Research Interests
Research Interests
Heterogenous and
Metal Cluster Catalysis
We study heterogeneous catalysis and the behavior of metal clusters to understand how chemical reactions occur on surfaces and small clusters. In addition, we proposed a theoretical approach using systematic GRRM exploration to study small molecule activation on metal clusters.
Photochemically Induced Organic Reactions
Photochemically Induced Organic Reactions
To be updated
Machine Learning Potentials for Reaction Mechanism
Machine Learning Potentials for Reaction Mechanism
We use machine learning potentials to study chemical reaction mechanisms. By combining computational calculation with machine learning, we can efficiently predict reaction pathways, energies, and rates, helping to design catalysts and reactions more effectively.
News
News
2025/04/01: Zheng Yuqing joined our group as a MANABIYA student. Welcome!
2024/10/25: Yongjie got the Best Research Award at the "The 62nd Aurora Seminar", Congratulations!
2023/11/06: Mr. Wongsathorn Kaewraung from Suranaree University of Technology of Thailand (supervisor: Dr. Suwit Suthirakun) joined our group as a special research student. Welcome!
2023/09/01: Dr. Shen Yongjie joined our group, welcome!
2023/08/31: Our paper was accepted in special issue "Early-Career and Emerging Researchers in Physical Chemistry" on J. Phys. Chem. C
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