Yao-Kun Lei

3PUBLICATIONS
8CO-AUTHORS
Statistical mechanics in chemistryReaction kinetics and dynamicsChemical thermodynamics and energetics
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Publications (3)

|Jun 03, 2024
Learning QM/MM potential using equivariant multiscale model.

Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita

|Sep 22, 2022
Locating Transition Zone in Phase Space.

Yao-Kun Lei, Zhen Zhang, Xu Han

|Sep 08, 2022
Phase Transition between Crystalline Variants of Ordinary Ice.

Maodong Li, Jun Zhang, Haiyang Niu

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