基本资料

谢斌斌

博士，校聘副研究员，硕士生导师。

2017年6月毕业于北京师范大学化学学院，理论与计算光化学教育部重点实验室（导师：方维海院士），获得物理化学-理学博士学位。2017年11月成为浙江师范大学“双龙学者”特聘教授并加入杭州高等研究院学科理论中心，从事理论计算研究工作。长期从事非绝热动力学程序开发、光化学与光生物的理论计算以及复杂生物体系的分子动力学模拟。开发了用户友好的量子轨迹平均场QTMF&QTSH软件包；在化学与物理相关领域的国际知名期刊，如：J. Phys. Chem. Lett., J. Chem. Theory Comput., J. Chem. Phys., Phys. Chem. Chem. Phys. 等杂志发表学术论文20余篇。培养硕士研究生5名。

研究方向

1). 非绝热动力学方法发展  2). 光化学与光生物过程研究  3). 生物体系分子动力学模拟

招生方向

• 化学学科-物理化学

• 物理学科-凝聚态物理

科研项目

1). 科技部“变革性技术关键科学问题专项”子课题1项，100.0万，在研。

2). 国家自然科学基金青年基金项目1项，26.0万，在研。

3). 浙江省自然科学青年基金项目1项，10.0万，在研。

4). 浙江师范大学科研启动经费1项，10.0万，在研。

5). 国家自然科学基金重大研究计划项目1项，338万元，在研，参加。

主讲课程

《物理化学进展》-理论与计算光化学部分

学术论文

代表性论文：

[1] Li, B.; Zhang, T.-S.; Xue, J.-D.; Xie, B.-B.*; Fang, W.-H.; Shen. L. Theoretical studies on the photochemistry of 2-nitrofluorene in the gas phase and acetonitrile solution. Phys. Chem. Chem. Phys.2020, 22, 16772-16782.

[2] Shen, L.; Xie, B.-B.; Li, Z.-W.; Liu, L.-H.; Cui, G.-L.; Fang, W.-H. Role of Multistate Intersections in Photochemistry. J. Phys. Chem. Lett.2020, 11, 8490–8501.

[3]Xie, B.-B.; Cui, C.-X.; Fang, W.-H.; Cui, G. L. Theoretical Studies on Photo-induced Cycloaddition and (6-4) Reactions of Thymidine:4-Thiothymidine Dimer in a DNA Duplex. Phys. Chem. Chem. Phys. 2019, 21, 2006-2016.

[4] Zhang, F.; Huang, C.; Xie, B.-B.; Wu, X.-Q. Revisiting the chemical kinetics of CH3 + O2 and its impact on methane ignition. Combust. Flame, 2019, 200, 125–134.

[5]Xie, B.-B.; Cui, C.-X. Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N3: a QM/MM nonadiabatic dynamics simulation. Phys. Chem. Chem. Phys.2018, 20, 19363-19372.

[6] Gao, L.-H.; Xie, B.-B.; Fang, W.-H. Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics. Chin. J. Chem. Phys.2018, 1, 12-26. (review)

[7] Xie, B.-B.; Liu, X.-Y.; Fang, Q.; Fang, W.-H.; Cui, G. L. The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles. J. Phys. Chem. Lett. 2017, 8, 1019.

[8]Xie, B.-B.; Wang, Q.; Guo, W.-W.; Cui, G. L. The Excited-State Decay Mechanism of 2,4-Dithiothymine in Gas Phase, Microsolvated Surroundings, and Aqueous Solution. Phys. Chem. Chem. Phys.2017, 19, 7689.

[9] Xie, B.-B.; Cui, G. L.; Fang, W.-H. Multi-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylactone with the Direct Ab Initio QTMF Approach. J. Chem. Theory Comput.2017, 13, 2717−2729.

[10] Liu, X.-Y.; Fang, Y.-G.; Xie, B.-B.; Cui, G. L. QM/MM Nonadiabatic Dynamics Simulations on Photoinduced Wolff Rearrangements of 1,2,3-Thiadiazole. J. Chem. Phys.2017,146, 224302.

[11]Xie, B.-B.; Xia, S.-H.; Chang, X.-P.; Cui, G. L. Photophysics of Auramine-O: Electronic Structure Calculations and Nonadiabatic Dynamics Simulations. Phys. Chem. Chem. Phys.2016, 18, 403.

[12]Xie, B.-B.; Li, C.-X.; Cui, G. L.; Fang, Q. Excited-State Proton Transfer and Decay in a Hydrogen-Bonded Oxazole System: a MS-CASPT2//CASSCF Study. Chin. J. Chem. Phys.2016, 29, 38. (invited paper)

[13] Li, C.-X.; Guo W.-W.; Xie, B.-B.; Cui, G. L. Photodynamics of Oxybenzone Sunscreen: Nonadiabatic Dynamics Simulations. J. Chem. Phys.2016, 145, 074308.

[14]Xie, B-B.; Liu, L.-H.; Cui, G. L.; Fang, W.-H.; Cao, J.; Feng, W.; Li, X.-Q. Ab Initio Implementation of Quantum Trajectory Mean-Field Approach and Dynamical Simulation of the N₂CO Photodissociation. J. Chem. Phys.2015, 143, 194107.

[15]Xie, B.-B.; Xia, S.-H.; Liu, L.-H.; Cui, G. L. Surface-Hopping Dynamics Simulations of Malachite Green: A Triphenylmethane Dye. J. Phys. Chem. A2015, 119, 5607.

[16] Xia, S.-H.; Xie, B.-B.; Fang, Q.; Cui, G. L.; Thiel, W. Excited-State Intramolecular Proton Transfer to Carbon Atoms: Nonadiabatic Surface-Hopping Dynamics Simulations. Phys. Chem. Chem. Phys. 2015, 17, 9687.

[17] Chang, X.-P.; Li, C.-X.; Xie, B.-B.; Cui, G. L. Photoprotection Mechanism of Para-Methoxy Methylcinnamate: A CASPT2 Study. J. Phys. Chem. A2015, 119, 11488.

[18] Liu, M.-X.; Xie, B.-B.; Li, M.-J.; Zhao, Y.-Y.; Pei, K.-M.; Wang, H.-G.; Zheng, X.-M. A-Band Structural Dynamics of Thioanisole by Resonance Raman Spectroscopy. J. Raman Spectrosc.2013, 44, 440.

[19] Guo, J.-L.; Liu, C.; Xie, B.-B.; Zhao, Y.-Y.; Pei, K.-M.; Wang, H.-G.; Zheng, X.-M.; Ai Y.-J.; Chen, X.-B.; Fang, W.-H.; Yeung, C-S. Vibronic Coupling and Excited-State Reaction Dynamics of Pyrazine in 1 ¹B_2u (¹ππ^*) State by Resonance Raman Spectroscopy and CASSCF Calculation. J. Raman Spectrosc.2012, 43, 1477.

联系方式

• Email：binbinxie@zjnu.edu.cn

• 办电：0579-82557635

• 个人主页：http://mypage.zjnu.edu.cn/binbinxie/zh_CN/index/49755/list/index.htm