91快活林

2025.10至今   91快活林 91快活林 副教授

2017.09-2025.09 南京大学 化学化工学院 博士

2013.09-2017.07 南京大学 化学化工学院 学士

主要从事低标度量子化学方法开发，结合或直接采用量子化学、分子动力学模拟（增强采样）、机器学习势等方法，研究周期性体系的结构、振动光谱、热性质、相变等。目前在J. Chem. Phys., Chem. Sci.等刊物上发表论文共10篇。

91快活林 科研启动基金（2025.12-2027.11，30万）

B. Hong, G. Li, P. Liu, W. Li*, M. Yang*, and S. Li*. Phase Diagram of CO₂-I/III from Molecular Dynamics Simulation Using a PBE0-Accuracy Machine Learning Potential. J. Chem. Phys. 2025, 163, 134502. DOI: 10.1063/5.0282391. (2025.09.08)

B. Hong, D. Zhao, W. Li*, and S. Li*. Generalized Energy-Based Fragmentation Approach for Structures and Properties of Periodic Condensed Phase Systems. Comprehensive Computational Chemistry 2024, 1, 129. DOI: 10.1016/B978-0-12-821978-2.00135-5. (Book chapter, 2023.10.25)

B. Hong, T. Fang, W. Li*, and S. Li*. Predicting the Structures and Vibrational Spectra of Molecular Crystals Containing Large Molecules with the Generalized Energy-Based Fragmentation Approach. J. Chem. Phys. 2023, 158, 044117. DOI: 10.1063/5.0137072. (2023.01.09)

Y. Sun‡, B. Hong‡, W. Li*, S. Li*. Generalized Energy-Based Fragmentation DLPNO-CCSD(T) Approach at Complete Basis Set Limit and Its Application to Benzene Clusters. Chin. J. Chem. Phys. 2025, 38, 347. DOI: 10.1063/1674-0068/cjcp2405068. (co-first authors, 2024.08.07)

X. Huang‡, B. Hong‡, G. Wen, S. Li*, and L. Zheng*. Photo-controllable heterostructured crystals of metal–organic frameworks via reversible photocycloaddition. Chem. Sci. 2023, 14, 1852. DOI: 10.1039/D2SC06732C. (co-first authors, 2023.01.19)