基本信息
傅碧娜 女 大连化学物理研究所
电子邮件:bina@dicp.ac.cn
通信地址:大连市中山路457号大连化物所1102组
邮政编码:116032
电话: 0411-84379657
部门/实验室:研究生部

研究领域

1. 复杂分子反应体系的全维势能面构建和动力学计算
2. 小分子反应体系的非绝热量子动力学计算
3. 复杂分子反应体系的非绝热动力学研究-准经典势能面跳跃(surface hopping)方法

招生信息

招生专业:
        物理, 化学及相关专业

教育背景

   
学历
中科院大连化学物理研究所-博士 研究生 
大连理工大学   学士
学位
中科院大连化学物理研究所-博士

工作经历

2009. 10 ~ 2012. 9 美国埃默里(Emory)大学 博士后
2012. 9 入选大连化物所“百人计划”,至今任副研究员       

出版信息

代表论文:

1. B. Fu, D. H. Zhang, "A Time-dependent quantum dynamical study of the H + HBr reaction", J. Phys. Chem. A, 2007, 111, 9516.
2. B. Fu, Y. Zhou, and D. H. Zhang, "A state-to-state quantum dynamical study of the H + HBr reaction", J. Theor. Comput. Chem., 2008, 7, 777.
3. X. Wang, W. Dong, M. Qiu, Z. Ren, L. Che, D. Dai, X. Wang, X. Yang, Z. Sun, B. Fu, Soo-Y. Lee, X. Xu, D. H. Zhang, "HF(v’=3) forward scattering in the F+H2 reaction: shape resonance and slow down mechanism", PNAS 2008, 105, 6227.
4. Z. Ren, L. Che, M. Qiu, X. Wang, W. Dong, D. Dai, X. Wang, X. Yang, Z. Sun, B. Fu, Soo-Y. Lee, D. H. Zhang, "Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy", PNAS, 2008, 105, 12662.
5. B. Fu, X. Xu, D. H. Zhang, "A hierarchical construction scheme for accurate potential energy surface generation: An application to the F+H2 reaction", J. Chem. Phys. (communication), 2008, 129, 011103.
6. Z. Sun, B. Fu, D. H. Zhang, Soo-Y. Lee, "Theoretical investigation of the direct observation of anharmonic coupling in CDCl3 in the time domain with femtosecond stimulated raman scattering", J. Chem. Phys., 2009, 130, 044312.
7. J. Liu, B. Fu, D. H. Zhang, "Quantum wave packet study of the C(1D) + H2 reaction". Chem. Phys. Lett., 2009, 480, 46.
8. B. Fu*, E. Kamarchik, J. M. Bowman*, "Quasiclassical trajectory study of the postquenching dynamics of OH A 2∑+ by H2/D2 on a global potential energy surface". J. Chem. Phys., 2010, 133, 164306. 
9. E. Kamarchik, B. Fu, J. M. Bowman, "Classical trajectory study of the postquenching dynamics of OH A 2∑+ by H2 initiated at conical intersections". J. Chem. Phys., 2010, 132, 091102.
10. W. Zhang, Y. Zhou, G. Wu, Y. Lu, H. Pan, B. Fu, Q. Shuai, L. Liu, S. Liu, L. Zhang, B. Jiang, D. Dai, S. Y. Lee, Z. Xie, B. J. Braams, J. M. Bowman, M. A. Collins, D. H. Zhang, X. Yang, "Depression of reactivity by the collision energy in the single barrier H + CD4 → HD + CD3 reaction". PNAS, 2010, 107, 12782.
11. J. H. Lehman, L. P. Dempsey, M. I. Lester, B. Fu, E. Kamarchik, J. M. Bowman, "Collisional quenching of OD A 2∑+ by H2: Experimental and theoretical studies of the state-resolved OD X 2Π product distribution and branching fraction". J. Chem. Phys., 2010, 133, 164307.
12. J. M. Bowman, B. J. Braams, S. Carter, C. Chen, G. Czakó, B. Fu, X. Huang, E. Kamarchik, A. R. Sharma, B. C. Shepler, Y. Wang, and Z. Xie, "Ab-initio-based potential energy surfaces for complex molecules and molecular complexes". J. Phys. Chem. Lett, 2010, 1, 1866.
13. Y. Zhou, B. Fu, C. Wang, M. Collins, D. H. Zhang, "Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction". J. Chem. Phys., 2011, 134, 064323.
14. J. M. Bowman, G. Czakó, B. Fu, "High-dimensional ab initio potential energy surfaces for reaction dynamics calculations". Phys. Chem. Chem. Phys., (Perspective) 2011, 13, 8094.
15. B. Fu, B. Shepler, J. M. Bowman, "Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces", J. Am. Chem. Soc., 2011, 133, 7957.
16. B. Fu, Y. Zhou, D. H. Zhang, "Shape resonance in the H+D2O->D+HOD reaction: A full-dimensional quantum dynamics study", Chem. Sci., 2012, 3, 270.
17. B. Fu, D. H. Zhang, "Full-dimensional quantum dynamics study of the H+H2O and H+HOD exchange reactions", J. Phys. Chem. A, 2012, 116, 820.
18. B. Fu, Y. Han, J. M. Bowman, "Three-state surface hopping calculations of acetaldehyde photodissociation to CH3+HCO on ab initio potential surfaces", Faraday Discussions (invited paper), 2012, 157, 27.
19. B. Fu, Y. Han, J. M. Bowman, L. Angelucci, N. Balucani, F. Leonori, P. Casavecchia, "Intersystem crossing and dynamics in O(3P)+C2H4 multichannel reaction: Experiment validates theory", PNAS, 2012, 109, 9733.
20. B. Fu, Y. Han, J. M. Bowman, L. Angelucci, N. Balucani, F. Leonori, P. Casavecchia, " Experimental and theoretical studies of the O(3P)+C2H4 reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing", J. Chem. Phys. (invited paper), 2012, 137, 22A532..
21. B. Fu, D. H. Zhang, "Full-dimensional quantum dynamics study of exchange processes for the D+H2O and D+HOD reactions", J. Chem. Phys. (Research Highlight), 2012, 136, 194301.
22. B. Fu*, J. M. Bowman, H. Xiao, S. Maeda, K. Morokuma, "Quasiclassical Trajectory Studies of the Photodissociation Dynamics  of NO3 from the D0 and D1 Potential Energy Surfaces", J. Chem. Theory. Comput., 2013, 9, 893.
23. B. Fu*, D. H. Zhang*, "Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study", J. Chem. Phys., 2013, 138, 184308.
24. B. Fu*, D. H. Zhang, J. M. Bowman, "Quasiclassical trajectory studies of 18O(3P) + NO2 isotope exchange and reaction to O2 + NO on D0 and D1 potentials",  J. Chem. Phys., 2013, 139, 024303. 
25. R. Conte, B. Fu, E. Kamarchik, J. M. Bowman, "A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH* by H2", J. Chem. Phys., 2013, 139, 044104.
26. T. Liu, B. Fu, D. H. Zhang, "Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface", J. Chem. Phys., 2013, 139, 184705.
27. T. Liu, B. Fu, D. H. Zhang,  Sci. China. Chem., 2014, 57, 147.
28. T. Liu, B. Fu*, D. H. Zhang,  J. Chem. Phys., 2014, 140, 144701.

科研活动

科研项目:

1. 大连化物所引进人才启动基金,100万,项目负责人, 2013.1-2017.1。
2. 分子反应动力学国家重点实验室自主研究课题,“复杂分子反应的全维势能面构建和动力学研究”,40万元,项目负责人,2013.4-2016.3。
3. 国家自然科学青年基金, 25 万元, 项目负责人, 2014.1-2016.12。

合作情况

Emory university, Joel M. Bowman 教授
University of Minnesota, Donald G. Truhlar 教授