Special Topic of the 1st Young Scientist Symposium on Computational Catalysis

Catalysis is the foundation of many industrial processes, which use chemical reactions to turn raw materials into valuable products. Understanding the reaction pathways and kinetics of catalytic reactions at the atomic scale is critical for designing better catalyst. Nowadays, computational chemistry has emerged as a powerful tool to gain insight on the catalytic mechanism and establish the "structure-activity" relationship of catalysts. In this special issue, we collect the articles concentrates on a topical research area on computational catalysis.

Guest Editors: Jinxun Liu, Weixue Li