豆育升
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个人简介：
豆育升教授，博士生导师，生物医学工程学科带头人。1998年毕业于英国牛津大学化学系，获博士学位；1998-2004年先后在美国宾夕法尼亚州立大学、德克萨斯A&M大学以及普林斯顿大学进行博士后研究，2004年起在美国尼古拉斯州立大学先后任助理教授和副教授， 2006年人重庆邮电大学特聘教授，2009年受聘为重庆邮电大学教授，2010年任重庆邮电大学高性能计算与应用研究所所长、生物信息学研究所所长。

主要从事光半经典动力学模拟和并行计算研究，在过去10年间主持半经典量子动力学模拟程序包的发展和应用，目前从事光化学反应的计算机模拟和含能材料的计算机仿真研究。主持国家自然科学基金2项，主持、参与省部级科研项目10余项，已在国际权威期刊发表SCI检索论文70余篇，其中某些论文被引用次数超过140次。

通信地址:重庆市崇文路2号，400065；重庆邮电大学生物信息学院

电话/传真: ** (O)

电子邮件: douys@cqupt.edu.cn

研究方向：光化学计算、分子模拟、计算材料学。

学术团体、兼职:
。

教育背景:
1998年毕业于英国牛津大学化学系，获博士学位。

科研项目
·?????????? （主持）国家自然科学基金，DNA中碱基的空间排列对其无辐射失活机理影响的半经典量子动力学模拟（**），2011.1-2013.12

·?????????? （主持）国家自然科学基金，激光诱导光化学反应的动力学模拟（**）,????? 2008.1—2010.12，

·?????????? （主持）重庆市自然科学基金,生物分子光化学反应的计算机模拟（2006BB2367）， 2006.9—2008.9。

·?????????? （主持）重庆市教委科学技术项目，生物大分子质谱分析的计算机模拟（KJ070506），2007.1--- 2008 .12。

·?????????? （主持）重庆邮电大学科研启动基金，碱基空间排列对激发态失活影响的动力学模拟??? 2010.11-2013.11。

·?????????? （主持）重庆邮电大学科研启动基金，生物大分子质谱分析的计算机模拟，2006.5—2009.5。

·?????????? ?

论文
2012

101????? Application of hybrid MPI+TBB parallel programming model for molecular dynamics simulation, BAI Ming-ze, ZHAO Wen-hui, DOU Yu-sheng, SUN Shi-xin, WEN Di, Application Research of Computers, 29,1772(2012).

100????? Performance analysis and improvement of parallel molecular dynamics algorithm based on OpenMP, BAI Ming-ze, CHENG Li, DOU Yu-sheng, SUN Shi-xin, Journal of Computer Applications, 32,163(2012).

99??????? Dynamic load balancing algorithm design and application based on feedback, YU Dun-fu, LI Hong-jian, TANG Hong, DOU Yu-sheng, Application Research of Computers, 29,527(2012)

98??????? Application and research on Winograd parallel algorithm of matrix multiplication based on OpenMP, YANG Guang-liang, LI Hong-jian, DOU Yu-sheng, TANG Hong, Application Research of Computers, 29, 2435(2012).

97??????? Two-level parallelization of Ehrenfest force calculation in ab initio molecular dynamics simulation, Hongjian Li, Shixin Sun, Hong Tang, Yusheng Dou, Glenn V.Lo, Cluster Computing, 15, 255(2012).

96?????? An SPMD-like algorithm for parallelization of molecular dynamics using OpenMP, M. Z. Bai, S. X. Sun, Y. S. Dou, H. Tang, G. Lo, Computing in Science and Engineering.

Available online: 12 June 2012

http://ieeexplore.ieee.org/xpls/abs_all.jsp?arnumber=**

95??????? Dynamics of laser-excited stacked adenines: Semiclassical simulations, Yusheng Dou, Shuai Yuan, Wenying Zhang, Hong Tang, Liashe Zhao, Weihai Fang, Glenn V.Lo, International Journal?of?Biological Macromolecules.

Available online: 17 October 2012

http://www.sciencedirect.com/science/article/pii/S**4035

94??????? Bonded excimer in stacked adenines:Semicalssical simulations,

??????????? Dou yusheng, Zhao wenhui, Science China Chemistry, 55, 1377(2012).

93?? Performance?analysis?and?improvement?of?parallel?molecular?dynamics?algorithm

? based?on?OpenMP，BAI?Ming-ze, CHENG?Li, DOU?Yu-sheng,,SUN?Shi-xin，journal?of?Computer?Applications，32, ?163(2012).

92??????? Bonded exciplex formation from stacked thymine and adenine: semiclassical simulations, Yusheng Dou, Shuai Yuan, Wenying Zhang, Hong Tang, Glenn V.Lo, Molecular Physics, 110, 1517(2012).

2011

91??????? A semiclassical dynamics simulation for a long-lived excimer state of π-stacked adenines，Wenying Zhang, Shuai Yuan, Zhijin Wang , Zhiming Qi , Jianshe Zhao , Yusheng Dou , Glenn V. Lo，Chemical Physics Letters， 506，303(2011).

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90?? Dynamics?Simulation?of?a?New?Deactivation?Pathway?for?Stacked?Adenines,

YUAN?Shuai?ZHANG?Wen-Ying?LI?An-Yang?ZHU?Yi-Min?DOU?Yu-Sheng?，Acta Physico-chimica Sinica，27，824(2011).

89??????? Dynamics?Simulation?of?Photophysical?Deactivation?Pathway?for?Stacked?

Thymines，DOU?Yu-Sheng，LI?Wei?，YUAN Shuai，?ZHANG?Wen-Ying，?LI?An-Yang，?SHU?Kun-Xian，?TANG?Hong，Acta?Physico-Chimica?Sinica，27，2559(2011).

?88????? Detailed Mechanism for Photoinduced Cytosine Dimerization: A Semiclassical Dynamics Simulation，Shuai Yuan,Wenying Zhang, Lihong Liu, Yusheng Dou, Weihai Fang, Glenn V. Lo，J. Phys. Chem. A ， 115, ?13291(2011).

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87??????? Laser Induced C60 Cage Opening Studied by Semiclassical Dynamics Simulation，Hong Tang , Hongjian Li，Yusheng Dou，Int. J. Mol. Sci., 12, 353(2011).

86??????? Molecular Dynamics Simulation of Effect of a Femtosecond Laser on the Photofragmentation Reaction Mechanism of C60，LI Hong-Jian,? LI An-Yang,? TANG Hong,? DOU Yu-Sheng ，Acta Physico-Chimica Sinica，27，2072(2011).

2010

85??????? A Web-Based Visualization Platform for Photochemical Reaction Simulations，Mingze Bai, Li Cheng, Hong Tang, Yusheng Dou and Shixin Sun，Systemics and Informatics World Network, 10, 188（2010）.

84??????? Cage Opening and Fragmentation of the C60 Fullerene Induced by Ultrashort Laser Pulse. Hong Tang, Hongjian Li, Yusheng Dou, and Weihai Fang, Molecular Simulations, 36, 986-991 (2010).
83?????????? Photoinduced Dissociation of Cyclobutane Thymine Dimer Studied by Semiclassical Dynamics Simulation, Dou Y, Xiong S, Wu W, Yuan S, Tang H., ?J Photochem Photobiol B. 101, 31-36(2010).
82??????? A semiclassical dynamics study of the photoisomerization of methyl-substituted azobenzene，Shuai Yuan, Weifeng Wu, Zhaolin Wei, Kunxian Shu,Hong Tang, Yusheng Dou, Glenn V. Lo，Molecular Physics，108, 3431(2010).

81??????? A modified multi-reference second order perturbation theroy，LI AnYang，HAN HuiXian，SUO BingBing，WANG YuBin，Wen ZhenYi，Scientia Sinica Chimica，40, 180(2010).

80??????? A modified multi-reference second order perturbation theory，Li Anyang, Han HuiXian, Suo Bingbing, Wang Yubin, Wen Zhenyi，Sci China Chem，53，933(2010).

79??????? Molecular Dynamics Simulation of the Laser-Induced Melting of an AI Nanofilm，BAI Ming-Ze，CHENG Li，TANG Hong， DOU Yu-Sheng，Acta Physico-chimica Sinica, 26, 3143(2010).

78??????? New Implementations of MRCI in Semiempirical Frameworks，Yibo Lei, BingBing Suo, Yusheng Dou, Yubing Wang, Zhenyi Wen，J. Compt. Chem , 31, 1152(2010).

77??????? Photoinduced Thymine Dimerization Studied by Semiclassical Dynamics Simulation，Wenying Zhang, Shuai Yuan, Anyang Li, Yusheng Dou, Jianshe Zhao and Weihai Fang，Journal of Physical Chemistry. C，114, 5594(2010).

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2009
76??????? Photoinduced Thymine Dimerization Studied by Semiclassical Dynamics Simulation, W.? Zhang, S. Yuan, A. Li, Y. Dou, J. Zhao, and W. Fang, J. Phys. Chem. C , 114, 5594(2009).

75??????? Laser-induced nonthermal fragmentation of C60 studied by semiclassical dynamics simulation, H. Li, H. Tang and Y. Dou, Molecular Physics,

107, 2039 (2009).

74??????? Molecular calculations for HeH+ with two-center correlated orbitals, Y. Dou, H. Tang and M. Bai, Science in China Series B: Chemistry, 52，2249(2009).

73??????? Semiclassical dynamic simulation of photon induced ring-opening of cyclohexadiene to hexatriene, A. Li, S. Yuan, Y. Dou, Y. Wang and Z. Wen

??????????? Chem. Phys. Lett. 478, 28 (2009).

72??????? Detailed mechanism of trans-cis photoisomerization of azobenzene studied by semiclassical dynamics simulation, Y. Dou,? Y. Hu, ?S. Yuan,? W. Wu, and ?H. Tang, Molecular Physics, 107, 181 (2009).

71??????? Molecular Response to Ultrashort Laser Pulses, H. Tong, Y. Dou, and M. Bai,

??????????? Computing in Science and Engineering, 11 (3), 47 (2009).

70??????? Parallel Computer Simulation of Photochemical Reactions, H. Li, Y. Dou, H. Tang, and S. Su, Chinese Journal of Lasers,?36(2):?356 (2009)?(in chinese).

69??????? Method of Computer Simulation of Photochemical Reactions，DOU Yu-sheng??TANG Hong??LI Hong-jian，Journal of System Simulation, 3，894(2009) (in chinese).

68??????? Performance of LAMMPS Code on Intel Quad-Core Xeon，Mingze Bai, Yusheng Dou, Hong Tang, and Shixin Sun，Proceedings of the 2009 Sixth IFIP International Conference on Network，ISBN 978-1-4244-4990-3，2009，pp156-160.

67??????? Mechanism research of melting of DNA duplex by photoisomerization of azobenzene, YUAN Shuai??WANG Dan??BAI Mingze??WEI Zhao-lin??MENG ?Ping??DOU Yu-sheng，Journal of Chongqing University of Posts and ?Telecommunications(Natural Science Edition)，21，821(2009).

2008

66??????? Why does ?have a smaller isomerization yield for pp* excitation than for np*excitation? S. Yuan, Y. Dou, Y. Wang, and Z. Wen, J. Phys. Chem. A 112, 13326 (2008).

65?????? Trans-Cis Photoisomerization of Azobenzene by n?p* Excitation: A Semiclassical Dynamics Study, S. Yuan, W. Wu, Y. Dou, J. Zhao, Chinese Chemical Letters, 19, 1379 (2008).

64??????? Non-adiabatic simulation study of photoisomerization of azobenzene: detailed mechanism and load-resisting capacity, J. Shao, Y. Lei, Z. Wen, Y. Dou, Z. Wang, J. Chem. Phys. 129, 164111 (2008).

63??????? A Parallel Algorithm for Simulating Photochemical Reaction. Hongjian Li, Hong Tang, Shixin Sun, Yusheng Dou. IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008)/ISBN 978-0-7695-3354-4, 2008, pp 258-262.

62??????? Construction and Application of Linux Virtual Server Cluster for Scientific Computing. H. Tang, R. She, C. He, Y. Dou. IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008) /ISBN 978-0-7695-3354-4, 2008, pp 287-289.

61?????? Parallel Computing in Semiclassical Dynamics Simulation of Photochemical Reactions. Y. Dou, M. Bai, H. Li, H. Tang, IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008) /ISBN 978-0-7695-3354-4, 2008, pp 267-272.

60??????? Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study, Y. Lei ,? S. Yuan,? Y. Dou, Y. Wang, and Z. Wen, J. Phys. Chem. A, 112, 8497 (2008).

59 ? Ultrafast laser excitation and rotational de-excitation of cis-stilbene

Y. Dou, W. Wu, H, Tang, and R. E. Allen, Chem. Phys. 353, 104 (2008).

58??????? Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9’-bianthryl (BA) in gas phase: Real-time observation of novel oscillation behavior with the torsional coordinate, G. J. Zhao, Y.U. Liu, K. L. Han, and Y. Dou, Chem. Phys. Lett. 453, 29 (2008).

57??????? Involvement of Excited Triplet State in the Photodissociation of Cyclobutane,

??????????? Y. Lei, B. Suo, A. Li, Y. Dou, B. Y. Wang, and Z. Wen , Intern. J. Quant. Chem.

??????????? 108, 789 (2008).

2007

56?????? Ultrafast Excited-State Dynamics of Tetraphenylethylene Studied by

?????????? Semiclassical Simulation, G. J. Zhao, K. L. Han, Y. B. Lei, and Y. Dou, J. Chem.

??????????? Phys.? 127, 094307 (2007).

55??????? Detailed Dynamics of the Photodissociation of Cyclobutane, Y. Dou, Y. Lei, A. Li, Z. Wen, B. R. Torralva, G.V. Lo, and R. E. Allen, J .Phys .Chem. A, 111, 1133 (2007).

54??????? Effect of C-C-C Bond Bending on Photodissociation of Cyclobutane, ?Y. Dou, Y. Lei, A. Li, Z. Wen , Y. Wang, G.V. Lo, and R. E. Allen,? Appl. Surf. Sci, 253, 6400 (2007).

53??????? Ring Opening Reaction of 1,3-Cyclohexadiene Studied? By Semiclassical Dynamics Simulation, Y. Dou,? S. Yuan, G. V. Lo, ?Appl. Surf. Sci, 253, 6404 (2007).

52??????? Potential Energy Curves for the, , andstates of C₂ using MRCI and approximate CI methods, Anyang Li, Yubin Wang, Yusheng Dou, Zhenyi Wen, Science in China Series B, 50, 614 (2007).

2006

51????? Potential energy surfaces for low-lying electronic states of SO₂ ，LI Anang, SUO Bing, WEN Zhenyi and and WANG Yubin，Science in China Series B: Chemistry，49，289(2006).

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2005

50?? ? Femtosecond-Scale of Photodissociation of Benzene, P. Sauer, R. H. Xie, Y. Dou, B. R. Torralva and R. E. Allen,? J. Mod. Optic., 52, 2423 (2005).

49??????? Desolvation of Enkephalin-H₂O Clusters Ejected from a Heated Film, Y. Dou,? Chem. Phys. Lett, 416, 336 (2005).

48??????? The two electron molecular bond revisited: From Bohr Orbits to Two Center Orbitals, G. Chen, S. A. Chin, Y. Dou, K. A. Kapale, M. Kim, A. A. Svidzinsky, K. Urtekin, H. Xiong, M. O. Scully, Advances in Atomic, Molecular and Optical Physics, 51, 93 (2005).

47??????? Semiclassical Quantum Simulation for Laser Induced Molecular Dynamics, Y. Dou, Recent Res. Devel. Physical Chem., Transworld Research Network, Trivandrum, India, 2004, 7, 185-206.

2004

46??????? Response of Si and