師資隊伍
鄭曉
物理化學
教授，博士生導師
xzheng@fudan.edu.cn
江灣校區化學樓A6024
研究興趣
開放量子體系的理論與計算方法
強關聯電子體系的理論與計算方法
面向人工智能和量子計算時代的新算法
表界面化學體系🧗🏿、納米結構體系的第一性原理模擬
表面分子量子態的精準測量和調控
學術任職
New Journal of Physics編委
獲獎情況
2015年中國化學會唐敖慶理論化學青年獎
學習工作經歷
1998.9-2002.8中國科學技術大學化學物理系本科🛶，獲得理學學士學位
2002.9-2006.12香港大學沐鸣开户研究生，獲得哲學博士學位
2007.1-2009.11香港科技大學沐鸣开户博士後
2008.12-2009.11美國杜克大學沐鸣开户訪問學者
2009.12-2010.11美國杜克大學沐鸣开户博士後
2010.12-2022.2中國科學技術大學 合肥微尺度物質科學國家研究中心&化學物理系🤮，研究員
2022.3起沐鸣开户教授
代表性論文或專著
Q. Zhuang, X. Wang, L. Ye, Y. J. Yan, X. Zheng. Origin of asymmetric splitting of Kondo peak in spin-polarized scanning tunneling spectroscopy: Insights from first-principles-based simulations. J. Phys. Chem. Lett. 13, 2094-2100 (2022).
J. Wang, D. Zhang, R.-X. Xu, C.-Y. Yam, G.H. Chen, X. Zheng. Improving density functional prediction of molecular thermochemical properties with a machine-learning-corrected generalized gradient approximation. J. Phys. Chem. A 126, 970-978 (2022).
L. Ye, L. Yang, X. Zheng, and S. Mukamel. Enhancing circular dichroism signals with vector beams. Phys. Rev. Lett. 126, 123001 (2021)
X. Li, L. Zhu, B. Li, J. Li, P. Gao, L. Yang, A. Zhao, Y. Luo, J. Hou, X. Zheng, B. Wang, J. Yang. Molecular molds for regularizing Kondo states at atom/metal interfaces. Nat. Commun. 11, 2566 (2020).
H.-D. Zhang, L. Cui, H. Gong, R.-X. Xu, X. Zheng, Y. J. Yan. Hierarchical equations of motion method based on Fano spectrum decomposition for low temperature environments. J. Chem. Phys. 152, 064107 (2020).
X. Yang, Z. He, X. Zheng. Unit cell consistency of maximally localized Wannier functions. Electron. Struct. 2, 014001 (2020).
L. Han, V. Chernyak, Y.-A. Yan, X. Zheng, Y. J. Yan. Stochastic representation of non-Markovian fermionic quantum dissipation. Phys. Rev. Lett. 123, 050601 (2019).
D. Zhang, X. Zheng, M. Di Ventra. Local temperatures out of equilibrium. Phys. Rep. 830, 1-66 (2019).
X. Wang, L. Yang, L. Ye, X. Zheng, Y. J. Yan. Precise control of local spin states in an adsorbed magnetic molecule with an STM tip: Theoretical insights from first-principles based simulation. J. Phys. Chem. Lett. 9, 2418−2425 (2018).
L. Ye, X. Wang, D. Hou, R.-X. Xu, X. Zheng, Y. J. Yan. HEOM-QUICK: A program for accurate, efficient, and universal characterization of strongly correlated quantum impurity systems. WIREs Comput. Mol. Sci. 6, 608-638 (2016).
