个人简介
教育经历
1998.9-2002.6 南京大学 | 化学 | 理学学士学位
2002.9-2007.6 南京大学 | 理论与计算化学 | 理学博士学位
工作经历
2007.9-2009.12 德国亚琛工业大学
2010.3-2022.11 南京大学
2022.11-至今 山东大学
研究领域
强关联与激发态体系的电子结构新方法开发
国产量子化学软件开发
复杂体系的量子动力学与计算光谱研究
人工智能化学
近期论文
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Wang, Ke. Theoretical investigation of distal charge separation in a perylenediimide trimer. journal physical chemistry, 160, 2024.
Cheng, Yifan. Renormalized-Residue-Based Multireference Configuration Interaction Method for Strongly Correlated Systems. Journal of chemical theory and computation, 20, 1988-2009, 2024.
Wang, Zhangxia. Simultaneous Intra- and Intermolecular Singlet Fission in Bipentacene Macrocycle Aggregates. Journal of Physical Chemistry Letters, 15, 3523-3530, 2024.
Song, Yinxuan. Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations. JOURNAL OF PHYSICAL CHEMISTRY A, 128, 958-971, 2024.
Yuli Lei. Vitality of Intralayer Vibration in hBN for Effective Long-Range Interlayer Hole Transfer across High Barriers in MoSe2/hBN/WSe2 Heterostructures. Journal of Physical Chemistry Letters, 14, 11190-11199, 2023.
Xu, Yihe. New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments. Journal of chemical theory and computation, 19, 4781-4795, 2023.
Xie, Zhaoxuan. Kylin 1.0: An ab-initio density matrix renormalization group quantum chemistry program. Journal of Computational Chemistry, 44, 1316-1328, 2023.
Wang, Zhangxia. Optimizing through-space interaction for singlet fission by using macrocyclic structures. Journal of Materials Chemistry C, 11, 6856-6866, 2023.
Lei, Hai. Ester Bond: Chemically Labile Yet Mechanically Stable. ACS nano, 17, 16870-16878, 2023.
Xu, Yihe. Hierarchical Mapping for Efficient Simulation of Strong System-Environment Interactions. Journal of chemical theory and computation, 19, 426-435, 2023.