王美洁
Deep Principle | AI4S 算法工程师（实习）
厦门大学凝聚态物理博士生（博二在读），目前在 Deep Principle 实习，参与 AI for Science 方向研究，围绕原子尺度体系的性质预测与模拟，重点关注分子性质预测中的结构表示及训练范式有效性。
此前主要基于第一性原理计算（DFT）和机器学习，系统研究材料结构—电子结构—催化性能之间的关系，聚焦单原子/双原子催化体系（Appl. Surf. Sci. 2024, J. Mater. Chem. A 2024, J. Phys. Chem. Lett. 2026）。
Experience
Selected Projects
Selected Publications
A geometric-electronic principle for curvature-driven catalysis
Meijie Wang, Yuxing Lin, Zhulin Huang, Yang Sun, Zi-zhong Zhu, Shunqing Wu, Xinrui Cao
J. Am. Chem. Soc., In Peer Review (2026)
Curvature Engineering of SiFe Dual-Atom Catalysts for Enhanced CO₂ Electroreduction
Meijie Wang, Yuxing Lin, Yaowei Xiang, Yang Sun, Zi-zhong Zhu, Shunqing Wu, Xinrui Cao
J. Phys. Chem. Lett., 17, 1227-1234 (2026) · DOI
p-d Orbital coupling in silicon-based dual-atom catalysts for enhanced CO₂ reduction
Meijie Wang, Yaowei Xiang, Yuxing Lin, Yang Sun, Zi-zhong Zhu, Shunqing Wu, Xinrui Cao
J. Mater. Chem. A, 12, 31902-31913 (2024) · DOI
SiFeN₆-graphene: A Promising Dual-Atom Catalyst for Enhanced CO₂-to-CH₄ Conversion
Meijie Wang, Yaowei Xiang, Wengeng Chen, Shunqing Wu, Zi-Zhong Zhu, Xinrui Cao
Appl. Surf. Sci., 643, 158724 (2024) · DOI