北京大学信息科学技术学院教授，1998年于北京大学获得理学博士学位，2007年入选教育部“新世纪优秀人才支持计划”，主要从事分子纳电子器件电子输运和自旋输运特性理论研究。2002年1月至2003年5月在美国明尼苏达大学(University of Minnesota)物理系作访问学者，开展有关纳米材料电子结构的第一性原理计算和纳电子器件电学特性理论计算等方面的合作研究。已在Physical Review Letters、Journal of the American Chemical Society、Angewandte Chemie International Edition、Advanced Materials、ACS Nano、Physical Review B、Applied Physics Letters、Journal of Chemical Physics、Nanotechnology等重要学术期刊上发表论文110余篇，获得中国发明专利3项，合作出版专著“论表面分析及其在材料研究中的应用”(科学技术文献出版社，2002)和译著“纳电子学基础”(清华大学出版社，2009)。

教育经历

1989年10月-1994年7月 北京大学无线电电子学系 本科生

1994年9月-1998年7月 北京大学电子学系 博士研究生

1998年5月获北京大学首届学生五四奖章

工作经历

1998年7月-2000年7月 北京大学电子学系 讲师

2000年8月-2006年7月 北京大学电子学系 副教授

2002年1月-2003年5月 美国明尼苏达大学物理系 访问学者

2006年8月- 北京大学信息科学技术学院 教授

研究领域

分子纳电子器件电学特性理论。纳电子器件和分子电子器件是未来电子器件的发展方向，理解电子器件中电荷、自旋的输运特性对提高电子器件的性能和设计新型电子器件至关重要。以第一性原理的非平衡格林函数理论和相对论性含时密度泛函理论为主要工具，发展电子输运理论和高效数值计算方法，研究纳电子器件和分子电子器件中的电子输运过程，为新型电子器件的设计提供理论依据。

近期成果

[63] Minglang Wang, Hao Wang, Guangping Zhang, Yongfeng Wang, Stefano Sanvito, Shimin Hou, Effect of molecular conformations on the electronic transport in oxygen-substituted alkanethiol molecular junctions, Journal of Chemical Physics, accepted for publication

[62] Hao Wang, Xue Zhang, Zhuoling Jiang, Yongfeng Wang, Shimin Hou, Electronic confining effects in Sierpinski triangle fractals, Physical Review B, 97(2018)115451 

[61] Zhuoling Jiang, Hao Wang, Yongfeng Wang, Stefano Sanvito, Shimin Hou, Tailoring the polarity of charge carriers in graphene-porphine-graphene molecular junctions through linkage motifs, Journal of Physical Chemistry C, 121(2017)27344

[60] Xue Zhang, Na Li, Gaochen Gu, Yajie Zhang, Shimin Hou, Yongfeng Wang, Construction of Sierpinski triangles with the coexistence of C60 or MnPc molecules, Chemical Communications, 53(2017)11826

[59] Chao Li, Xue Zhang, Na Li, Yawei Wang, Jiajia Wang, Gaochen Gu, Yajie Zhang, Shimin Hou, Lianmao Peng, Kai Wu, Damian Nieckarz, Pawel Szabelski, Hao Tang, Yongfeng Wang, Construction of Sierpinski trangles up to the fifth order, Journal of the American Chemical Society, 139(2017)13749

[58] Xue Zhang, Na Li, Hao Wang, Chenyang Yuan, Gaochen Gu, Yajie Zhang, Damian Nieckarz, Pawel Szabelski, Shimin Hou, Boon K. Teo, Yongfeng Wang, Influence of relativistic effects on assembled structures of V-shaped bispyridine molecules on M(111) surfaces where M=Cu, Ag, Au, ACS Nano, 11(2017)8511  

[57] Minglang Wang, Yongfeng Wang, Stefano Sanvito, Shimin Hou, The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes, Journal of Chemical Physics, 147(2017)054702

[56] Chao Li, Na Li, Liwei Liu, Yajie Zhang, Chenyang Yuan, Lianmao Peng, Shimin Hou, Yongfeng Wang, Kenetically controlled hierarchical self-assemblies of all-trans-retinoic acid on Au(111), Chemical Communications,  53(2017)2252-2255

[55] Xingchen Tu, Hao Wang, Ziyong Shen, Yongfeng Wang, Stefano Sanvito, Shimin Hou, Cu-metalated carbyne acting as a promising molecular wire, Journal of Chemical Physics, 145(2016)244702

[54] Zhuoling Jiang, Hao Wang, Ziyong Shen, Stefano Sanvito, Shimin Hou, Effects of the molecule-electrode interface on the low-bias conductance of Cu-H2-Cu single-molecule junctions, Journal of Chemical Physics, 145(2016)044701 

[53] I-Po Hong, Na Li, Ya-Jie Zhang, Hao Wang, Huan-Jun Song, Mei-Lin Bai, Xiong Zhou, Jian-Long Li, Gao-Chen Gu, Xue Zhang, Min Chen, J. Michael Gottfried, Dong Wang, Jing-Tao Lv Lian-Mao Peng, Shi-Min Hou, Richard Berndt, Kai Wu, Yong-Feng Wang, Vacuum Synthesis of Magnetic Aluminum Phthalocyanine on Au(111), Chemical Communications, 52(2016)10338

[52] Gaochen Gu, Na Li, Liwei Liu, Xue Zhang, Qimeng Wu, Damian Nieckarz, Pawel Szabelski, Lianmao Peng, Boon K. Teo, Shimin Hou, Yongfeng Wang, Growth of Covalently Bonded Sierpiński Triangles up to the Second Generation, RSC Advances, 6(2016)66548

[51] Na Li, Hao Wang, Daoliang Song, Chao Li, Ruoning Li, Shimin Hou, Yongfeng Wang, Richard Berndt, Charging single Co atoms on ultrathin NaCl films, Dalton Transactions, 45(2016)16566

[50] Meilin Bai, Clotilde S. Cucinotta, Zhuoling Jiang, Hao Wang, Yongfeng Wang, Ivan Rungger, Stefano Sanvito, Shimin Hou, Current induced phonons renormalization in molecular junctions, Physical Review B, 94(2016)035411

[49] Hao Wang, Zhuoling Jiang, Yongfeng Wang, Stefano Sanvito, Shimin Hou, Quantitative interpretation of the low-bias conductance of Au-mesitylene-Au molecular junctions formed from mesitylene monolayers, ChemPhysChem, 17(2016)2272

[48] Zhuoling Jiang, Hao Wang, Stefano Sanvito, Shimin Hou, Origin of the periodic structure in the conductance curve of gold nanojunctions in hydrogen environment, Physical Review B, 93(2016)125438

[47] An Xiang, Minglang Wang, Hao Wang, Hantao Sun, Shimin Hou, Jianhui Liao, The origin of the transition voltage of gold-alkanedithiol-gold molecular junctions, Chemical Physics, 465-466(2016)40

[46] Xue Zhang, Na Li, Gaochen Gu, Hao Wang, Damian Nieckarz, Pawel Szabelski, Yang He, Yu Wang, Chao Xie, Ziyong Shen, Jing-Tao Lü, Hao Tang, Lianmao Peng, Shimin Hou, Kai Wu, Yongfeng Wang, Controlling Molecular Growth between Fractals and Crystals on Surfaces, ACS Nano, 9(2015)11909

[45] Zhuoling Jiang, Hao Wang, Stefano Sanvito, Shimin Hou, Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface, Journal of Chemical Physics, 143(2015)234709

[44] Ji-Jun Li, Mei-Lin Bai, Zhao-Bin Chen, Xiao-Shun Zhou, Zhan Shi, Meng Zhang, Song-Yuan Ding, Shi-Min Hou, Walther Schwarzacher, Richard J. Nichols, Bing-Wei Mao, Giant single-molecule anisotropic magnetoresistance at room temperature, Journal of the American Chemical Society, 137(2015)5923

[43] Yang Li, Xingchen Tu, Hao Wang, Stefano Sanvito, Shimin Hou, First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups, Journal of Chemical Physics, 142(2015)164701

[42] An Xiang, Hui Li, Songjie Chen, Shi-Xia Liu, Silvio Decurtins, Meilin Bai, Shimin Hou, Jianhui Liao, Electronic transport in benzodifuran single-molecule transistors, Nanoscale, 7(2015)7665

[41] Hongliang Chen , Shaohua Dong , Meilin Bai , Nongyi Cheng , Hao Wang , Mingliang Li , Huiwen Du , Shuxin Hu , Yanlian Yang , Tieying Yang , Fan Zhang , Lin Gu , Sheng Meng , Shimin Hou , Xuefeng Guo, Solution-Processable, Low-Voltage, and High-Performance Monolayer Field-Effect Transistors with Aqueous Stability and High Sensitivity, Advanced Materials, 27(2015)2113

[40] Xingchen Tu, Minglang Wang, Stefano Sanvito, Shimin Hou, Microscopic origin of the 1.3 G0 conductance observed in oxygen-doped silver quantum point contacts, Journal of Chemical Physics, 141(2014)194702

[39] Yang Li, Xingchen Tu, Minglang Wang, Hao Wang, Stefano Sanvito, Shimin Hou, Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanedithiol molecules connected to gold electrodes, Journal of Chemical Physics, 141(2014)174702

[38] Kunlin Wu, Meilin Bai, Stefano Sanvito, Shimin Hou, Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes, Journal of Chemical Physics,141(2014)014707

[37] An Xiang, Shimin Hou, Jianhui Liao, Tuning the local temperature during feedback controlled electromigration in gold nanowires, Applied Physics Letters, 104(2014)223113

[36] Kunlin Wu, Meilin Bai, Stefano Sanvito, Shimin Hou, Quantitative interpretation of the transition voltages in gold-poly(phenylene) thiol-gold molecular junctions, Journal of Chemical Physics, 139(2013)194703 

[35] Yang Li, Stefano Sanvito, Shimin Hou, Origin of the half-metallic properties of graphitic carbon nitride in bulk and confined form, Journal of Materials Chemistry C, 1(2013)3655

[34] Kunlin Wu, Meilin Bai, Stefano Sanvito, Shimin Hou, Origin of the transition voltage in gold-vacuum-gold atomic junctions, Nanotechnology, 24(2013)025203

[27] Lili Sun, Peng Wei,  Jianhua Wei,  Stefano Sanvito, Shimin Hou, From zigzag to armchair: the energytic stability, electronc and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges, Journal of Physics: Condensed Matter, 23(2011)425301

[26] Ruoxing Zhang, Ivan Rungger, Stefano Sanvito, Shimin Hou, Current-induced energy barrier suppression for electromigration from first principles, Physical Review B, 84(2011)085445

[25] Peng Wei, Lili Sun, Enrico Benassi, Ziyong Shen, Stefano Sanvito, Shimin Hou, Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms, Journal of Chemical Physics, 134(2011)244704 

[24] Zhikun Zhang, Meilin Bai, Dengzhu Guo, Shimin Hou, Gengmin Zhang, Plasma-electrolysis synthesis of TiO2 nano/microspheres with optical absorption extended into the infra-red region, Chemical Communications, 47(2011)8439  

[23] Guo Hong, Matthew Zhou, Ruoxing Zhang, Shimin Hou, Wonmook Choi, Yun Sung Woo, Jae-Young Choi, Zhongfan Liu, and Jin Zhang, Separation of Metallic and Semiconducting Single-Walled Carbon Nanotube Arrays by “Scotch Tape”，Angewandte Chemie International Edition, 50(2011)6819

[22] Zelong Yi, Xin Shen, Lili Sun, Ziyong Shen, Shimin Hou, Stefano Sanvito, Tuning the magneto-transport properties of nickel-cyclopentadienyl multidecker clusters by molecule-electrode coupling manipulation, ACS Nano, 4(2010)2274

[21] Guohui Ma, Xin Shen, Lili Sun, Ruoxing Zhang, Peng Wei, Stefano Sanvito, Shimin Hou,  Low-bias conductance of single benzene molecules contacted by directAu-C and Pt-C bonds, Nanotechnology, 21(2010)495202

[20] Xin Shen, Lili Sun, Zelong Yi, Enrico Benassi, Ruoxing Zhang, Ziyong Shen, Stefano Sanvito, Shimin Hou, Spin transport properties of 3d transition metal (II) phthalocyanines in contact with single-walled carbon nanotube electrodes, Physical Chemistry Chemical Physics, 12(2010)10805

[19] Guohui Ma, Lili Sun, Ruoxing Zhang, Ziyong Shen, Shimin Hou, The conductance and stability of fused dithia-heterocyclic compounds contacted with gold and platinum electrodes, Chemical Physics, 375(2010)67

[18] Ruoxing Zhang, Meilin Bai, Guohui Ma, Lili Sun, Ivan Rungger, Ziyong Shen, Stefano Sanvito, Shimin Hou, Electronic transport calculations for the conductance of Pt-1,4-phenylene diisocyanide-Pt molecular junctions, Nanotechnology, 21(2010)155203

[17] Xin Shen, Lili Sun, Enrico Benassi, Ziyong Shen, Xingyu Zhao, Stefano Sanvito, Shimin Hou, Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes, Journal of Chemical Physics, 132(2010)054703

[16] Xin Shen, Zelong Yi, Ziyong Shen, Xingyu Zhao, Jinlei Wu, Shimin Hou, Stefano Sanvito, Spin filter effect of iron-cyclopentadienylmultidecker clusters: role of the electrode band structure and the coupling strength, Nanotechnology, 20(2009)385401

[15] Ruoxing Zhang, Guohui Ma, Rui Li, Zekan Qian, Ziyong Shen, Xingyu Zhao, Shimin Hou, Stefano Sanvito, Effects of spin-orbit coupling on the conductance of molecules contacted with gold electrodes, Journal of Physics: Condensed Matter, 21 (2009) 335301

[14] Zekan Qian, Rui Li, Xingyu Zhao, Shimin Hou, Stefano Sanvito, Conceptual molecular quantum phase transistor based on first-principles quantum transport calculations, Physical Review B, 78(2008)113301

[13] Shimin Hou, Yanqing Chen, Xin Shen, Rui Li, Jing Ning, Zekan Qian, Stefano Sanvito, High transmission in ruthenium-benzene-ruthenium molecular junctions, Chemical Physics, 354(2008)106

[12] Zekan Qian, Rui Li, Shimin Hou, Zengquan Xue, Stefano Sanvito, An efficient nonequilibrium Green’s function formalism combined with density functional theory approach for calculating electron transport properties of molecular devices with quasi-one dimensional electrodes, Journal of Chemical Physics, 127(2007)194710

[11] Jing Ning, Rui Li, Xin Shen, Zekan Qian, Shimin Hou, A.R. Rocha, S. Sanvito, First-principles calculation on the zero-bias conductance of a gold/1,4-diaminobenzene/gold molecular junction, Nanotechnology, 18(2007)345203

[10] Rui Li, Jiaxing Zhang, Shimin Hou, Zekan Qian, Ziyong Shen, Xingyu Zhao, Zengquan Xue, A corrected NEGF+DFT approach for calculating electronic transport through molecular devices: filling bound states and patching the non-equilibrium integration, Chemical Physics, 336(2007)127

[9] Jing Ning, Zekan Qian, Rui Li, Shimin Hou, A.R. Rocha, and S. Sanvito, Effect of the continuity of the pi conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions, Journal of Chemical Physics, 126(2007)174706

[8] Zekan Qian, Shimin Hou, Jing Ning, Rui Li, Ziyong Shen, Xingyu Zhao, and Zengquan Xue, First-principles calculation on the conductance of a single 1,4-diisocyanatobenzene molecule with single-walled carbon nanotubes as the electrodes, Journal of Chemical Physics, 126(2007)084705

[7] Rui Li, Shimin Hou, Jiaxing Zhang, Zekan Qian, Ziyong Shen, and Xingyu Zhao, Analysis on the contribution of molecular orbitals to the conductance of molecular electronic devices, Journal of Chemical Physics, 125(2006)194113

[6] Shimin Hou, Jing Ning, Ziyong Shen, Xingyu Zhao, Zengquan Xue, Influences of the molecule-electrode interface structure on the conducting characteristics of the gold-4,4 bipyridine-gold molecular junction, Chemical Physics, 327(2006)1-9

[5] Jiaxing Zhang, Shimin Hou, Rui Li, Zekan Qian, Rushan Han, Ziyong Shen, Xingyu Zhao, Zengquan Xue, An accurate and efficient self-consistent approach for calculating electron transport through molecular electronic devices: including the corrections of electrodes, Nanotechnology, 16(12)(2005)3057

[4] Shimin Hou, Rui Li, Zekan Qian, Jiaxing Zhang, Ziyong Shen, Xingyu Zhao, Zenquan Xue, Evaluation of basis sets with 11-electron analytic effective core potentials of gold for modeling molecular electronic devices, Journal of Physical Chemistry A, 109(2005)8356

[3] Shimin Hou, Jiaxing Zhang, Rui Li, Jing Ning, Rushan Han, Ziyong Shen, Xingyu Zhao, Zenquan Xue, Quande Wu, First-principles calculation on the conductance of a single 4,4 bipyridine molecule, Nanotechnology, 16(2)(2005)239

[2] Shimin Hou, Tatsuhiko Sagara, Dongcheng Xu, T. Ross Kelly, Eric Ganz, Investigation of triptycene-based surface-mounted rotors, Nanotechnology, 14(5)(2003)566

[1] H.J.Gao, K.Sohlberg, Z.Q.Xue, H.Y.Chen, S.M.Hou, L.P.Ma, X.W.Fang, S.J.Pang, and S.J.Pennycook, Reversible, nanometer-scale conductance transition in an organic complex, Physics Review Letters, 84(8)(2000)1780