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欢迎进入青岛大学计算科学与工程技术研究中心
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   名:

段云波

学位:

博士

   称:

教授

电话:

0532-85850768

电子信箱:

bobduan@live.cn

   业:

理论/计算分子科学、计算机科学

    位:

青岛大学计算科学与工程技术研究中心

一、   学历与研究经历

01/2004-               青岛大学                        教授

01/2001-12/2002  加拿大哥伦比亚大学   研究员    理论/计算分子科学

01/1999-02/2001  美国俄亥俄州立大学   博士后     理论/计算分子科学

08/1997-01/1999  日本学术振兴会     博士后    理论/计算分子科学

08/1998-12/2003 中国海洋大学                 教授

04/1996-08/1997  日本国富山大学计算机系 工学博士生 计算机科学

10/1993-09/1996  日本国金泽大学               理学博士   理论/计算论分子科学

三、科研简介

主要研究兴趣集中于计算分子科学、计算机算法与软件以及计算理论模型的研究开发工作,把计算技术与分子科学、非线性科学等结合起来,以分子理论与模型、分子结构与光谱、分子集团、化学反应动力学、生物大分子等为具体的研究对象,在计算机并行计算与分布处理技术、多元偏微分方程、大型数据处理与拟合方法、巨型矩阵本征值解法、神经网非线性科学等问题的算法与处理等方面进行研究与软件开发。特别是在大或超大分子系统的计算机仿真技术、非线性数学的软件处理技术、复杂分子哈密顿的约化与数值解法、分子(原子)尺度上计算机辅助材料设计与加工过程的模拟,复杂光谱数据的处理,分子及其反应动力学的量子计算、原子分子散射过程等方面的理论与计算程序的研究与开发。

主要从事具有大振幅内部转动分子的可行性理论/计算方法研究,涉及哈密顿算符的约化与线性关联、分子光谱与结构的理论与实验分析等。大振幅内部转动存在于各类分子内,如:非对称分子CH3OHCH3CHO、对称分子CH3CH3或生物大分子等,并使得分子的能级结构变的极其复杂,探讨分子中振动-扭动-转动之间相互作用的物理机制,为了解因扭动而引起的分子振动能级的再分布具有十分重要的理论与应用意义。本研究是在多年研究的基础上,基于量子理论以甲醇分子为研究对象,开展具有大振幅内部转动分子的动力学研究,涉及哈密顿算法的构建、约化与线性相关问题、势函数、对称性、坐标、表象等理论,并建立其动力学的数学计算模型,并行化原自行设计的计算程序,使其适合在大型并行计算机环境下运行,并应用于分子光谱与结构的理论与实验分析,为探索分子结构与性能,了解宇宙物质结构与成分,寻找激光材料等提供了计算模型与理论基础。特别是,研究的成果有望为研究分析具有大振幅内部转动复杂分子,如有机大分子或生物大分子,的内部结构与性能提供了可行性理论模型与计算方法。

四、发表论文代表作

近年来,申请者在国际著名学术刊物发表论文约50篇(不含国际学术会议论文),出版教育管理著作8部。

I. Papers in Journals (Science)

  1. Yun-Bo Duan and Kojiro Takagi,Theory of centrifugal distortion for a molecule with an internal rotor, Physics Letters A , 207 (1995) 203-208.
  2. Yun-Bo Duan, Hui-Min Zhang, and Kojiro Takagi, Higher-order effects in the vibration-torsion-rotation spectra of a molecule with an internal rotor, Journal of Chemical Physics, 104 (1996) 3914-3922.
  3. Yun-Bo Duan and Kojiro Takagi, Vibration-torsion-rotation dipole moment operator for a molecule with an internal rotor, Journal of Chemical Physics, 104 (1996) 7395-7402.
  4. Yun-Bo Duan, Zhen-Dong Sun, and Kojiro Takagi, Nuclear quadrupole coupling operator for a molecule with an internal rotor, Journal of Chemical Physics, 105 (1996) 5348-5354.
  5. Yun-Bo Duan, Zhen-Dong Sun, and Kojiro Takagi, Centrifugal distortion effects for a molecule with two internal rotors, Journal of Physics B, 29 (1996) 3815-3823.
  6. Z.Z. Xin, Yun-Bo Duan, W. Zhang, W.J. Qian, M. Hirayama, and K. Matumoto,
    Excited even and odd coherent states of the radiation field, Journal of Physics B, 29 (1996) 2597-2606.
  7. Z.Z. Xin, Yun-Bo Duan, H.M. Zhang, M. Hirayama, and K. Matumoto, Excited two-photon states of the radiation field, Journal of Physics B, 29 (1996) 4493-4506.
  8. Yun-Bo Duan, Theoretical study of spectra for a molecule with internal rotations, Ph.D thesis, (May, 1996), Kanazawa University, Japan.
  9. Yun-Bo Duan, Li Wang, Wen-Jia Qian, and T. Kawamura, Non-partial-wave Coulomb-Born theory for the excitation of many-electron atomic ions, Physical Review A 56 (1997) 2431-2434 .
  10. M. Ikeda, Yun-Bo Duan, S. Tsunekawa, and Kojiro Takagi, Laboratory microwave spectrum of CH318OH , Astrophysical Journal, 117 (1998), 249-259.
  11. Zhen-Dong Sun, Yun-Bo Duan, and Jun Xu, Vibration-torsion-rotation polarizability tensor operator for a molecule with an internal rotor, Journal of Chemical Physics, 108 (1998) 918-926.
  12. I. Mukhopadhyay, Yun-Bo Duan, and Kojiro Takagi, Eighth order Hamiltonian parameters of CH3OD in the vibrational ground state, Spectrochimica Acta A, 54 (1998) 1325-1335.
  13. Wen-Jia Qian, Li Wang, Yan Song, Shi-Yang Zhou, and Yun-Bo Duan, Formal analysis of inelastic scattering in the Coulomb-projected eikonal approximation, Journal of the Korean Physical Society, 32 (1998) 868-872.
  14. Yun-Bo Duan, Li Wang, Xudong T. Wu, I. Mukhopadhyay, and Kojiro Takagi, The calculation of molecular parameters for a molecule with an internal rotor, Journal of Chemical Physics, 111 (1999) 2385-2391.
  15. Yun-Bo Duan, Li Wang, I. Mukhopadhyay, and Kojiro Takagi, Correlation problems and a correlation-free torsion-rotation Hamiltonian for a molecule with an internal rotor, Journal of Chemical Physics, 110 (1999) 927-935.
  16. Yun-Bo Duan, Li Wang, and Kojiro Takagi, An analysis of higher-order vibration-torsion-rotation interactions and spectra for a molecule with an internal rotor, Journal of Molecular Spectroscopy, 193 (1999), 418-433.
  17. Yun-Bo Duan, Li Wang, and Wen-Jia Qian, Non-partial-wave Coulomb-Born theory for the excitation of many-electron atomic ions II: numerical description and application, European Physical Journal D 22 (2000) 25-29
  18. I. Mukhopadhyay and Yun-Bo Duan, Analysis of Torsion-rotational Transitions in the First Three Torsional States of CH3OD, Chemical Physics, 257 (2000) 91-101.
  19. Yun-Bo Duan, A. B. McCoy, Li Wang, and Kojiro Takagi, Molecular parameters for 12C and 13C-methanol isotopomers with O-16, 17 and 18, Journal of Chemical Physics, 112 (2000) 212-219.
  20. Yun-Bo Duan and Anne B. McCoy, Global Fit of Torsion-rotational Transitions in the First Three Torsional States of CH3OD, Journal of Molecular Spectroscopy,199 (2000) 302-306.
  21. I. Mukhopadhyay, Yun-Bo Duan, Xudong T. Wu, and Kojiro Takagi, High resolution spectral analysis of 13CH3OH in the excited torsional states, Spectrochimica Acta A, 56 (2000) 19-28
  22. Li Wang, Yun-Bo Duan, I. Mukhopadhyay, D. S. Perry, and K. Takagi, On the physical interpretation of torsion-rotational parameters for CH3OD isotopomers, Chemical Physics, 263 (2001) 263-270.
  23. Yun-Bo Duan and A. B. McCoy, Quantum mechanical simulation of vibration-torsion-rotation levels of methanol, Lecture Notes in Computer Science, 2074 (2001) 893-902.
  24. Yun-Bo Duan, Rubin Wang, and Indranath Mukhopadhyay, Quantum dynamics of methanol: coordinate, Hamiltonian, representation, intensity and symmetry,
    Chemical Physics, 280 (2002) 119-134.
  25. Rubin Wang, Yun-Bo Duan and Zhikang Zhang, Resonance analysis of the finite-damping nonlinear vibration system under random disturbances, European Journal of Mechanics - A/Solids, 21 (2002) 1083-1088.
  26. Li Wang, Yun-Bo Duan, Fusakazu, Matsushima and Kojiro Takagi, Spectroscopic determination of fundamental molecular parameters for methanol and its isotopomers, Chemical Physics Letters, 365 (2002) 432-439.
  27. I. Mukhopadhyay, D. S. Perry, Yun-Bo Duan, J. C. Pearson, S. Albert, R. A. H. Butler, E. Herbst, F. C. De Lucia, Observation and analysis of high-J inter-species transitions in CH2DOH, Journal of Chemical Physics, 116 (2002) 3710-3717.
  28. Yun-Bo Duan, I. Ozier, K. Takagi, Microwave study and global analysis of the lowest three torsional state of CH3OD, Journal of Molecular Spectroscopy, 218 (2003) 95-107
  29. L. Wang, Yun-Bo Duan, Guang Duan, Determination of reduced Hamiltonian parameters for the CD3OH isotopomers of methanol, Chemical Physics, 292 (2003) 23-29.
  30. Rubin Wang, Yun-Bo Duan, Nonliner stochastic models of neurons activities, Neurocomputing, 51 (2003) 401-411.
  31. I. Mukhopadhyay,Yun-Bo Duan, The Spectrum of Methanol-D4 and Microwave Spectrum of Methanol-D1, International Journal of Infrared and Millimeter wave, 24 (2003) 855-898.
  32. Rubin Wang, Yun-Bo Duan, Some Advance in Nonlinear Stochastic Evolution Models for Phase Resetting Dynamics on Populations of Neuronal Oscillators, International Journal of Nonlinear Science and Numerical Analysis, 4 (2003) 435-446.
  33. Rubin Wang, Yun-Bo Duan, An Exploration of Dynamics of the moving Mechanism of the Growth Cone, Molecules, 8 (2003) 127-138.
  34. I. Mukhopadhyay, Yun-Bo Duan, S. Klee, Fourier Transform Far Infrared Spectrum of CD3OD: Detailed analysis in the Torsional ground state, Journal of Molecular Structure, 695-696 (2004) 357-365.
  35. Yun-Bo Duan, Shuping Yuan, Rubing Wang, I. Mukhopadhyay, Torsion and CO-stretching Vibration Interaction in Methanol, Chemical Physics, 330 (2006), 9-15.
  36. Shuping Yuan, Yun-Bo Duan, Jianguo Wang, Yongwang Li, Haijun Jiao, ONIOM2方法研究吡啶在H-MOR分子筛孔道中的吸附,催化学 (Chinese Journal of Catalysis)27 (2006) 664-670.
  37. Shuping Yuan, Jianuo Wang, Yun-Bo Duan, Yong-Wang Li and Haijun JiaoAn ONIOM2 Study on Pyridine Adsorption in the Main Channels of Li- and Na-MORJ. Mol. Catal. A 256 (2006) 130-137.
  38. Tianshu Chu, Yun-B duan, Shuping Yuan,, A. J.C. Varandas,, , Accu, rate Qua, ntum Wave Packet Study of the N(2D)+D2 Reaction, Chemical Physics Letters 444 (2007) 351-354.,
  39. H.Z. Si, T. Wang, K. Zhang, Yun-Bo Duan, Shuping Yuan, A.P. Fu, Z.D. Hu, Quantitative Structure Activity Relationship Model for Predicting the Depletion Percentage of Skin Allergic Chemical Substances of GlutathioneAnalytica Chemica Acta 591 (2007) 255-264.
  40. H.Z. Si, T. Y.P. Yuan, K.J. Zhang, A.P. Fu, , Yun-Bo Duan, Z.D. HuQuantitative Structure Activity Relationship Study on EC50 of Anti-HIV DrugsChemometrics snd Intelligent Laboratory System 90 (2008) 15-24.
  41.  Wen-Jia Qian, Yun-Bo Duan, Rong-Long Wang, and Hajime Narumi, Electron impact excitation of positive ions: partial wave approach in Coulomb-eikonal approximation, Journal of Physics B, 24 (1991) L443 -L447.
  42. Yun-Bo Duan, Lei Chen, and Wen-Jia Qian, Electron impact excitation of highly ionized hydrogenic ions: non-partial wave calculations in Coulomb-Born approximation, Journal of Atomic and Molecular Physics, 9 (1992) 2371-2380.
  43. Yun-Bo Duan and Wen-Jia Qian, Electron impact excitation of hydrogentic ions: non-partial wave calculations of 1s-ns, np transition in Coulomb-Born approximation Proc. 4th Asia Pacific Phys. Conf., World Scientific, 2 (1992) 970-973.
  44. Yun-Bo Duan and Wen-Jia Qian, Non-partial wave method of excitation of positive ions by charged particle impact in Coulomb-Born approximation, Atomic and Molecular Physics, Jilin University Press, (1992) 243-245.
  45. Yun-Bo Duan and Wen-Jia Qian, Coulomb-eikonal partial wave theory for electron impact ionization of atoms (ions), Atomic and Molecular Physics, Jilin University Press, (1992) 104-107.
  46. Yun-Bo Duan and Wen-Jia Qian, The excitation of highly- ionized atom by charged particle impact: non-partial wave approach in Coulomb-eikonal approximation, J. Yantai Uni., Natural Science, 4 (1992) 69-73.
  47. Yun-Bo Duan and Lei Chen, Reduction of a generalized Coulomb integral in atomic scattering theory, J. Yantai Uni., Natural Science, 8 (1992) 57-60.
  48. Yun-Bo Duan, Lei Chen, and Qiang Xu, The differential cross sections for 1s-ns excitation of hydrogenic ions by electron impact}, Yantai Uni., Natural Science, 9 (1992) 60-66.
  49. Yun-Bo Duan, Qiang Xu, and Lei Chen, The differential cross sections for 1s-np excitation of hydrogenic ions by electron impact}, J. Yantai Uni., Natural Scienc, 10 (1992) 16-21.

II. Books

  1. Yun-Bo Duan, etc., How to develop and Administer a Bilingual Montessori Kindergarten. Ocean University Press, 2004.
  2. Yun-Bo Duan, etc., Teaching Montessori in the Home, Shandong Education Press, 2006.
  3. Yun-Bo Duan, etc., Montessori Materials and its Makings, Shandong Education Press, 2007.
  4. Philip, MaCLary, Yun-Bo Duan, etc., Texbook for TESOL/TECOL, Shandong Education Press, 2008.
  5. Yun-Bo Duan, etc., Montessori Mathematics, Shandong Education Press, 2007.
  6. Yun-Bo Duan, etc., Montessori Practical Life, Shandong Education Press, 2007.
  7. Yun-Bo Duan, etc., Montessori Sensorial, Shandong Education Press, 2007.

III. Papers in Journals (Education)

1.       Z.xi Liang, Yun-Bo Duan, The History, Present and future of Montessori in China, Montessori in China, 1 (2007) 1-10.

IV. Papers in the Conference Proceedings.

  1. I. Mukhopadhyay, F. C. De Lucia, Eric Herbst, and Yun-Bo Duan, Millimer Wave Fassst Spectrum of Methanol-D4, TF 10, Proc. 59th OSU international Symposium on Molecular Spectroscopy, June 21-25, Ohio, State. University, Columbus, OH, p. 135 (2004).
  2. I. MUKHOPADHYAY, DAVID. S PERRY, JOHN C. PEARSON, REBECCA A. H. BUTLER, ERIC HERBST AND FRANK C. DE LUCIA, OBSERVATION AND ANALYSIS OF NEW HIGH-J INTER-SPECIES TRANSITIONS IN CH2DOH, Proc. 56th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (2001) RA07.
  3. I. MUKHOPADHYAY, DAVID S PERRY, Yun-Bo Duan, MICHAEL LOCK AND STEFAN KLEE, HIGH RESOLUTION FAR-INFRARED FOURIER TRANSFORM SPECTRUM OF THE CD3OD ISOTOPOMER IN THE GROUND VIBRATIONAL STATE, Proc. 56th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (2001) RA08.
  4. Yun-Bo Duan, and Anne B. McCoy, Physical intepretation of torsion-rotational parameters in methanol, Proc. 55th Int. Symp. Mol. Spectros., Columbus, Ohio, USA, (2000) 207.
  5. I. Mukhopadhyay, X. X. Xiao, G. C. Mellau, S. Klee, Yun-Bo Duan, and Anne B. McCoy, High resolution Fourier transform far-infrared spectroscopy, Proc. 55th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (2000) 221
  6. Xian-Xiao Hao, Yun-Bo Duan Li Wang, Wen-Jia Qian, Non-partial wave Columb-Born theory, Proc. 5th Int. Symp. Comp. Phys. Kanazawa, Japan, (1999).
  7. Yun-Bo Duan, Xian-Xiao Hao, A. B. McCoy, Quantum mechanical calculation of methanol, Proc. 5th Int. Symp. Comp. Phys. Kanazawa, Japan, (1999) 157.
  8.  Yun-Bo Duan, and Anne B. McCoy, Analysis of CO-stretching-torsion-rotational transition of methanol, Proc. 54th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1999) 157.
  9.  Yun-Bo Duan Anne B. McCoy, Analysis of CO-stretching-torsion-rotational transition of methanol , Proc. ACS 31st  Central Regional Meeting, Columbus, Ohio State University, USA, (1999) 355.
  10. Yun-Bo Duan, Li Wang, and Kojiro Takagi, Correlation proble ms and a correlation-free Hamiltonian for a molecule with an internal rotor, Proc. 53th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1998) 262.
  11. Li Wang, Yun-Bo Duan, and Kojiro Takagi, The calculation of molecular parameters for a molecule with an internal rotor, Proc. 53th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1998) 262.
  12. Kojiro Takagi, Yun-Bo Duan, and T. Tusnekawa, Microwave spectra of isotopic species of methanol, Proc. 53th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1998) 203.
  13. Yun-Bo Duan and Kojiro Takagi, A analysis of vibratio-torsion -rotation interactions and spectra for a molecule with an internal rotor, Proc. 52th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1997) 250.
  14. Kimura, Kurozawa, Yun-Bo Duan, T. Tusnekawa, and Kojiro Takagi Microwave spectra of CH318OH at excited torsional states}, Proc. Phys. Soc. Japn. and Appl. Phys. Soc. Jpn., Kanazawa, Japan, III19 (1997) 85.
  15. Yun-Bo Duan and Kojiro Takagi, A new analysis of the torsion - rotation Hamiltonian for an asymmetric molecule containing a methyl internal rotor, Proc. 50th Int. Symp. Mol. Spectros., Coulmbus, Ohio, USA, (1995) 118.
  16. Yun-Bo Duan and Wen-Jia Qian, Non--partial wave calculations of the excitation of hydrogenic ions by electron impact in Coulomb-Born approximation, Proc. 5th Chine. Nat. Conf. At. Mol. Phys., Chengdu, (1990) 204.
  17. Yun-Bo Duan and Wen-Jia Qian, Double electron excitation of He-like ions, Proc. 3th Chine. Nat. Conf. Phys. Mechanics, Changsha, (1989) 108.
  18. Yun-Bo Duan and Wen-Jia Qian, The excitation of multiply ionized atoms by electron impact, Proc. 4th Chine. Nat. Conf. At. Mol. Phy s., Wuhan, (1988) 17.
  19.  Yun-Bo Duan and Yun-Chuang Wang, The excitation of atomic ions by electron and positron impact in Coulomb-Modified-Glauber approximation, Proc. 4th Chine. Nat. Conf. At. Mol. Phys., Wuhan, (1988) 107.
     
 

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