2011.10-至今   南京理工大学，化工学院，副教授          

2011. 1-6       布兰登大学（加拿大），化学系，助理教授

2009.9-2010.12  卡尔加里大学（加拿大），化学系，博士后研究员

2007.3-2009.8    密苏里大学-圣路易斯分校，化学&生物化学系，博士后研究员

2005.2-2007.2   英属哥伦比亚大学（加拿大），化学系，博士后研究员  

1999-2004    物理化学 博士   加州大学-洛杉矶分校，化学&生物化学系

      1993-1998   化学物理 学士   中国科学技术大学，化学物理系

2013，2014年获南京理工大学全英文授课竞赛一等奖（无机化学）；

2017年江苏省大学生创新创业优秀成果“优秀论文”指导教师。

2023年受 Phys. Chem. Chem. Phys.杂志主编邀请为该杂志审稿。

2015年受 J. Phys. Chem.杂志主编邀请为该杂志审稿。

2015年受 J. of Theor. Comput. Chem.杂志主编邀请为该杂志审稿。

课题组在理论方法/算法发展上取得一定的突破：1.预测主客体分子包合自由能的MD/QM/CSM方法；2.应用于连续介质溶剂模型的HGM可变原子半径方法。 

近年代表性文章：

（a）理论方法/算法发展

1. How are N-methylcarbamates encapsulated by β-cyclodextrin: Insight into binding mechanism, X. Bao, X. Liu, R. Dou, S. Xu, D. Liu, J. Luo, X. Gong, C. F. Wong, B. Zhou^∗ (通讯作者), Phys. Chem. Chem. Phys., DOI: 10.1039/D3CP01252B (2023).

2. Why 2,6-di-methyl-beta-cyclodextrin can encapsulate OH-substituted naphthalenes better than beta-cyclodextrin: Binding pose, non-covalent interaction and solvent effect, K. Chen, R. Ye, X. Liu, C. F. Wong, S. Xu, J. Luo, X. Gong, B. Zhou^∗ (通讯作者), Comput. Theor. Chem., 1206, 113496 (2021).

3. Exploring host-guest binding mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach, R. Ye, X. Nie, Y. Zhou, C. F. Wong, X. Gong, W. Jiang, W. Tang, Y. A. Wang, T. Heine, B. Zhou^∗ (通讯作者), Chem. Phys. Lett., 648, 170-177 (2016).

4. Variable van der Waals Radii Derived from a Hybrid Gaussian Charge Distribution Model for Continuum-Solvent Electrostatics Calculation, R. Ye, X. Nie, C. F. Wong, X. Gong, Y. A. Wang, T. Heine, B. Zhou* , (通讯作者) Zeitschrift für Physikalische Chemie, 230, 681-701 (2016).

（b）理论应用研究

1. Exploring the correlation between azido-tetrazolo tautomerizations and the isomer structures: electron density of bonding N atoms and N-N bond polarity, Z. Wu, J. Hu, G. Lu, B. Zhou (通讯作者), J. Phys. Chem. A, (2024, accepted).

2. Exploring the thermal decomposition and detonation mechanisms of 2,4-dinitroanisole by TG-FTIR-MS and molecular simulations, N. Yang, T. Wu, S. Xu, B. Zhou (通讯作者),  RSC Advances, (2024, accepted).

Why heptakis(2,3-di-O?acetyl)?beta-cyclodextrin can separate terbutaline enantiomers better than beta-?cyclodextrin: nonbonding and hydrophobic interactions, R. Dou, K. Chen, G. Chi, J. Luo, C. F. Wong, B. Zhou* , (通讯作者), J. Incl. Phenom. Macrocycl. Chem, 100,189–195  (2021).

3. Hf-MOF catalyzed Meerwein− Ponndorf− Verley (MPV) reduction reaction: Insight into reaction mechanism, Y. Lin, Q. Bu, J. Xu, X. Liu, X. Zhang, G. Lu*, B. Zhou^∗ (通讯作者), Molecular Catalysis, 502, 111405 (2021).

4. TD-DFT benchmark for UV-visible spectra of fused-ring electron acceptors using global and range-separated hybrids, A. Ali, M. I., Z. Zhang, J. Cao, R. Geng, B. Zhou^∗ (通讯作者), W. Tang*, Phys. Chem. Chem. Phys., 22, 7864-7874 (2020).

5. A DFT study on the mechanism of Rhodium-Catalyzed Regioselective Hydrothiolation of the Allyl Amine, L. Feng, G. Lu*, B. Zhou^∗ (通讯作者), Molecular Catalysis, 468, 62-74, (2019).

6. A Concerted Addition Mechanism in [Hmim]Br-Triggered Thiol-Ene Reactions: A Typical “Ionic Liquid Effect” Revealed by DFT and Experimental Studies, L. Feng, R. Ye, G. Lu*, B. Zhou^∗ (通讯作者), New Journal of Chemistry, accepted, (2019).

7. Microencapsulation thermodynamics of methylated β-cyclodextrins with bile salt: enthalpy, entropy, and solvent effect，P. Dang, R. Ye, F. Meng, Y. Han, Y. Zhou, X. Gong, B. Zhou∗, (通讯作者), J. Incl. Phenom. Macrocycl. Chem., 88, 181–189 (2017).

（c）理论与实验合作

1. In situ no-slot joint integration of half C(CN)3 cocatalyst into g-C3-N4 scaffold: An absolute metal-free in-plane heterosystem for efficient and selective photoconversion of CO2 into CO, Y. Yang*, Z. Tang, B. Zhou, Y. Zhou*, et al, Applied Catalysis B: Environmental, 264, 118470 (2020).

2. A combined experimental and DFT mechanistic study for the unexpected nitrosolysis of N-hydroxymethyldialkylamines in fuming nitric acid, Y. Zhang, J. Luo*, B. Zhou^∗ et al, (通讯作者), RSC Adv., 8, 19310-19316 (2019).

3. Binary hole transport materials blending to linearly tune HOMO level for high efficiency and stable perovskite solar cells, X. Yin, W. Tang, Y. Yan, B. Zhou, et al., Nano Energy, 51, 680-687 (2018).

4. Fluorescence quenching based alkaline phosphatase activity detection, Y. Mei, Q. Hu, B. Zhou, J. Kong, et al., TALANTA, 176, 52-58 (2018).

5. Metal-to-ligand charge-transfer-based visual detection of alkaline phosphatase activity, M. He, Q. Hu, B. Zhou, J. Kong, X. Zhang, Anal. Sci., 34, 341-347, (2018).

6. One-step facile synthesis of a simple carbazole-cored hole transport material for high-performance perovskite solar cells, X. Yin, W. Tang, Y. Yan, B. Zhou, et al., Nano Energy, 40, 163-169 (2017).

7. Facile preparation and the stepwise formation mechanistic investigation of gram-scale nitrogen-doped graphene quantum dots, R. Tian, W. Jiang*, B. Zhou, et al., J. Mater. Chem.C 5, 9174-9180 (2017).

8. Synthesis and evaluation of a new furfuran-based rhodamine B fluorescent chemosensor for selective detection of Fe³⁺ and its application in living-cell imaging, T. Zhou, B. Zhou, X. Bao, et al., Sensor. Actuat. B-Chem. 253, 292-301 (2017).

9. Synthesis and evaluation of a new fluorescein and rhodamine B-based chemosensor for highly sensitive and selective detection of cysteine over other amino acids and its application in living cell imaging, H. Chen, B. Zhou, X. Bao, et al., Sensor. Actuat. B-Chem. 251, 481-489 (2017).

10. Organocatalyzed and Mechanochemical-solvent free synthesis of novel and functionalized biphenyl substituted Thiazolidinones as potent Tyrosinase inhibitors: SAR and molecular modelling studies, S. Mutahir, M. A. Khan, I. U. Khan, M. Yar, M. Ashraf, S. Tariq, R. Ye, B. Zhou^∗, (通讯作者), European Journal of Medicinal Chemistry, 134, 406-414 (2017).

11. Facile colorimetric assay of alkaline phosphatase activity using Fe(II)-phenanthroline reporter, Q. Hu, B. Zhou (共第一作者), P. Dang, L. Li, J. Kong, X. Zhang, Analytica Chimica Acta 950, 170-177 (2017).

12. Acceptor manipulation of bisalkylthiothienyl benzo[1,2-b:4,5-b']dithiophene core-structured oligomers for efficient organic photovoltaics, X. Yin, Q. An, J. Yu, Z. Xu, P. Deng, Y., B. Zhou, F. Zhang, W. Tang, Dyes and Pigments 140, 512-519 (2017).

13. Effect of bisalkylthio side chains onbenzo[1,2-b:4,5-b'] dithiophene-based polymers for organic solar cells, P. Deng, J. Yu, X. Yin, Y. Geng, B. Zhou, F. Zhang, W. Tang, Dyes and Pigments 138, 47-55 (2017).

14. Bisalkylthio side chain manipulation on two-dimensional benzo[1,2-b:4,5-b']dithiophene copolymers with deep HOMO levels for efficient organic photovoltaics, J. Yu, X. Yin, Z. Xu, P. Deng, Y. Han, B. Zhou, W. Tang, Dyes and Pigments 136, 312-320 (2017).

15. Synthesis and evaluation of a novel rhodamine B-based 'off-on' fluorescent chemosensor for the selective determination of Fe³⁺ ions, H. Chen, X. Bao, H. Shu, B. Zhou, R. Ye, J. Zhu, Sensor. Actuat. B-Chem. 242, 921-931 (2017).

16. Synthesis and evaluation of a novel fluorescent chemosensor for glutathione based on a rhodamine B and N-[4-(carbonyl) phenyl] maleimide conjugate and its application in living cell imaging, H. Shu, X. Wu, B. Zhou, Y. Han, M. Jin, J. Zhu, X. Bao, Dyes and Pigments 136, 535-542 (2017).

17. Turn-On Colorimetric Platform for Dual Activity Detection of Acid and Alkaline Phosphatase in Human Whole Blood, Q. Hu, B. Zhou (共第一作者), F. Li, J. Kong, X. Zhang, Chem. Asian J. 11, 3040-3045 (2016).

18. Facile sulfa-Michael reactions with sodium arylsulfinates in water: the promotion of water on the reaction, G Lu, C Cai, R Ye, B. Zhou* (通讯作者), ACS Sustainable Chemistry & Engineering 4, 1804-1809 (2016).

（d）学术专著

 1.X. Liu X., B. Zhou, F. Ahmed, A. Tkalych, A. Miyamoto and D. R. Salahub, “Multiscale Modelling of in-situ Oil Sands Upgrading with Molybdenum Carbide Nanoparticles”, « Quantum Modeling of Complex Molecular Systems », Springer, 2015.

1. 中文教学

1.        2012-至今  南京理工大学,本科生专业基础课《无机化学》.

2.        2013, 2017-至今 南京理工大学,本科生课程《分子模拟原理及应用》.

3.        2012-2013南京理工大学,研究生课程《群论及其在化学中的应用》.

2. 全英文教学

1.   2015-至今  南京理工大学,本科留学生专业基础课《无机化学》.

2. 2013, 南京理工大学本科生课程《Biogeochemical Cycles》.      .

3.    2011, 加拿大，布兰顿大学, 本科生课程《物理化学实验》.     

4.    2011, 加拿大，布兰顿大学, 本科生课程《大学化学》.    

5.   2011, 加拿大，布兰顿大学, 本科生课程《物理化学》.   

6.  2010, 加拿大，卡尔加里大学, 本科生课程《结构化学：量子力学及群论》

3. 全英文助教

2002  加州大学，洛杉矶分校，研究生课程《量子力学》.

已毕业研究生主要在企业从事研发，以及在中学从事化学或物理课程教学。

课题组计算资源充分： 拥有高性能服务器多台并享有化工学院高性能服务器集群的使用权。课题组还租用云计算中心的服务器使用。软件方面，课题组有G09、 Amber12、CHARMM、Materials Studio等专业计算软的使用权。此外，我们也使用一些发展较为成熟的开源免费计算化学软件，如Lammps和ORCA等。