杨晓晖

厦门大学南强青年拔尖B类人才入选者

1. 香港应用科技研究院横向合作项目，研究并开发XXX的AI模型与使用接口项目，2024-02 至2025-02，55万港币，在研，第一参与人

2. 华为横向合作项目，深度势能分子动力学开发XXX的研究项目，2022-2024，171万元，在研，第一参与人

3. 国家自然科学基金委员会，重大项目课题，21991151，电极/聚电解质界面结构与电化学行为研究，2020-01至2024-12，480万元，在研，参与

主要研究方向为芯片制造电子电镀材料筛选，致力于将人工智能与电化学计算方法相结合，专注于电子电镀中专用电镀液添加剂的计算模拟和智能设计。

1. X.-H. Yang, M. Papasizza, A. Cuesta, and J. Cheng, “Water-In-Salt Environment Reduces the Overpotential for Reduction of CO2 to CO2– in Ionic Liquid/Water Mixtures,” ACS Catal 12, 6770–6780 (2022).

2. X.-H Yang, Y. Zhuang, J. Zhu, J. Le, and J. Cheng, “Recent progress on multiscale modeling of electrochemistry,” Wiley Interdiscip. Rev.: Comput. Mol. Sci. 12(1), e1559 (2021).

3. X.-H. Yang, A. Cuesta, and J. Cheng, “The energetics of electron and proton transfer to CO2 in aqueous solution,” Phys Chem Chem Phys 23(38), 22035–22044 (2021).

4. X.-H. Yang, A. Cuesta, and J. Cheng, “Computational Ag/AgCl Reference Electrode from Density Functional Theory-Based Molecular Dynamics,” J Phys Chem B 123(48), 10224–10232 (2019).

5. X.-H. Yang, P.-B. Kang, F.-J. Xu, Y.-C. Jin, Y.-H. Tang, Y.-Y. Su, J.-P. Qiu, and J. Cheng, “Artificial intelligence and computational chemistry: a new perspective for electroplating-surface-interface research,” Sci. Sin. Chim. 53(10), 1940–1953 (2023).

6. J.-Q. Yang, J.-P. Qiu, L. Jin, Z.-Y. Wang, T. Song, Y. Zhao, X.-H. Yang*, J. Cheng, F.-Z. Yang*, and D.-P. Zhan*, “Molecular structure impacts of tetrazole derivatives on their diffusion and adsorption behaviors for microvia copper void-free filling,” Surf. Interfaces 44, 103679 (2024).

7. Y.-X. Yang, X.-H. Yang, M.-L. Huang, L.-W. Wu, Z. Liu, J. Cheng, and Y.-F. Huang, “In Situ Spectroscopic Elucidation of the Electrochemical Potential Drop at Polyelectrolytes/Au Interfaces,” J. Phys. Chem. Lett. 15(3), 701–706 (2024).

8. J.-B. Le, X.-H. Yang, Y.-B. Zhuang, M. Jia, and J. Cheng, “Recent Progress toward Ab Initio Modeling of Electrocatalysis,” J Phys Chem Lett 12(37), 8924–8931 (2021).

9. M. Papasizza, X. Yang, J. Cheng, and A. Cuesta, “Electrocatalytic reduction of CO2 in neat and water-containing imidazolium-based ionic liquids,” Curr Opin Electrochem 23, 80–88 (2020).