Yongle Li

Apr 25, 2024 | mdpi.com | Yongle Li |Yao Lu |Chun Tian |Zhen Kun Wang

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Apr 5, 2023 | pubs.rsc.org | Chen Li |Yongle Li |Bin Jiang

First-principles Surface Reaction Rates by Ring Polymer Molecular Dynamics and Neural Network Potential: Role of Anharmonicity and Lattice Motion Chen Li,   Yongle Li  and  Bin Jiang   Abstract Elementary gas-surface processes are essential steps in heterogeneous catalysis. A predictive understanding of catalytic mechanisms remains challenging due largely to the difficulties of accurately characterizing of the kinetics of such steps.