Junfan Xia

activity

20242026

most citedThe Evolution of Machine Learning Potentials for Molecules, Reactions and Materials

64 citations · 64 across the 3 of their papers we have counts for

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physics.chem-ph2026

Mode-Specific Dynamics of $CO_{2}$ Hydrogenation on Copper: The Hidden Role of Molecular Rotation

Junfan Xia, Zhikai Jiang, Yaolong Zhang +3

Catalytic hydrogenation of $CO_{2}$ to formate on copper is a key elementary step for $CO_{2}$ utilization. Previous experimental and theoretical studies suggested an Ele…

Mode-Specific Dynamics of CO2​ Hydrogenation on Copper: The Hidden Role of Molecular Rotation

Mode-Specific Dynamics of $CO_{2}$ Hydrogenation on Copper: The Hidden Role of Molecular Rotation