个人简介
1983-1988年 山东师范大学物理系(学士),1990-1993年 中国科学技术大学近代化学系(硕士)。1993-1996年 中国科学院上海光学和精密机械研究所(博士).1996-1998年 瑞士苏黎世大学有机化学研究所(博士后)。1998-2000年 中国科技大学生命科学学院从事QM/MM的软件发展。2000-2002年 中国科学技术大学国家同步辐射实验室(副教授)2002-2007年美国德克萨斯理工大学化学系,密西西比杰克荪州立大学和蒙大拿州立大学化学系(博士后和访问学者，研究助理教授). 2007- 中国科学技术大学国家同步辐射实验室(研究员，博导)2008- 中国科学技术大学核科学技术学院(教授，博导)
研究领域
1、量子化学计算
2、生物大分子的动力学模拟
3、纳米生物材料及纳米仿生学的理论研究
近期论文
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1) Geometries, stabilities and vibrational properties of bimetallic Mo2-doped Gen (n=9~15) Clusters: A Density Functional Investigation, - J.Phys.Chem A, - 2008 - 112 (2008) 3224.
2) Geometries, electronic and magnetic properties of hafnium clusters: A density functional calculation - Thin State Films - 2012 - 520(2012) 2178
3) A theoretical study on the divergence of growth patterns: The Zn-doped germanium clusters, - Chem.Phys - 2007 - 342 (2007) 253.
4) The Geometries and Properties of the Charged YbSin (n=7-13) Clusters: A Relativistic Computational Investigation, - Chem Phys. - 2010 - 378( 2010)82-87.
5) The growth patterns and electronic properties of the cagelike Mo2 doped-Six (x=9-16) clusters, - J. Phys. Chem. A - 2007 - 111(2007)2148
6) A relativistic density functional investigation on the middle-sized rare-earth Yb impurity doped silicon clusters, - Chem Phys - 2010 - 372(2010)89-95.
7) A theoretical investigation on the tungsten-doped germanium clusters: WGen (n=1-17) - J. Phys. Chem A, - 2006 - 110(2006)12670
8) A Relativistic Computational Investigation：the Electronic Structures and Properties of TaSin+ (n=1-13,16) Clusters - J Phys. Chem. A, - 2006 - 110(2006) 7453
9) Geometries and magnetisms of the Zrn (n=2-8) clusters: The density functional investigations - J. Chem. Phys, - 2006 - 124(2006) 194301
10) A theoretical study on the growth patterns: The Ni-doped germanium clusters, - J. Phys. Chem. B. - 2006 - 110(2006)7820
11) Geometrical and Electronic Properties of the Neutral and Charged Rare Earth Yb-doped Sin (n=1-6) Clusters: A Relativistic Density Functional Investigation, - J. Phys. Chem. A - 2006 - 110(2006)4071
12) A theoretical investigation on Ti(H2O)x+1,0 (x=1-5) clusters by density functional methods, - Chem.Phys - 2006 - 323(2006)249
13) A computational Investigation on Germanium and Copper-doped Germanium clusters by the density functional method, - J. Chem. Phys. - 2005 - 123(2005)244303
14) A Theoretical investigation on Cr(H2O)x (x=1-4) clusters and their cations by density functional methods, - Theochem. - 2005 - 756(2005)55
15) Geometries, Stabilities and Electronic properties of different sized ZrSin clusters: A density functional investigation, - J. Chem. Phys., - 2005 - 123(2005) 064306
16) The computational progress of the transition metal doped Sin clusters, - Comput. Lett, - 2005 - 1(2005)230
17) Electronic and vibrational properties of diamondois hydrocarbons, - Phys Rev. B, - 2005 - 72(2005) 035447
18) Structural and Electronic Properties of TaSin (n=1~13) Clusters: A relativistic density functional investigation, - J. Chem. Phys. - 2004 - 121(2004)12265
19) Photoionization Study of L-Valine in the gas phase by VUV Synchrotron Radiation, - Euro J. of Mass Spectrometry - 2011 - 17(2011)101-112
20) A theoretical investigation on fullerene-like phosphorus clusters. - Chem. Phys. Lett. - 2004 - 396(2004)27
21) The new stable Sin(n=26-36,60) cages: a semiempirical theoretical investigation. - Theochem. - 2003 - 625(2003)47.
22) A computational investigation on CunN0,+/-(n=1-4) clusters, their cations and anions - Chem. Phys. - 2003 - 294(2003)211
23) A computational investigation of the Ni-doped Six (x=1-8) clusters by a density functional method - Theochem, - 2005 - 718(2005)165.
24) Geometries and stabilities of Re-doped Sin (n=1-12) clusters: A DFT investigation - J. Phys. Chem. A, - 2004 - 108(2004)5100.
25) A novel Set of Scoring Functions From Mechanical Stability Point-of-view for Protein-protein Docking, - J.Compt-Aid.Mol.design, - 2004 - 18(2004)251
26) Ab initio computational investigation on geometries and electronic structures of GenCl and GenCl-(n≤6) clusters, - Chem. Phys. - 2004 - 305(2004)253
27) A theoretical investigation on electronic properties and stability of IrSix (x=1-6) clusters, - Chem. Phys., - 2003 - 286(2003)181
28) a density functional investigation of AgSin(N=1-6) clusters, - Theochem - 2003 - 635(2003)25
29) A computational study of SnGex (x=1-4) clusters - Theochem, - 2003 - 624(2003)257.
30) Geometries and Stabilities of the Carbon Clusters With the Rhodium Impurity: A Computational Investigation. - J. Phys. Chem A - 2008 - 112(2008) 4375-4381
31) Recent Progress in the computational study of silicon and germanium clusters with transition metal impurities, - J. Comput. Theor. Nanosci. - 2009 - 6(2009)257-269.
32) Does The Incoming Oxygen Atom Influence the Geometries and the Electronic and Magnetic structures On Con Clusters? - J. Phys. Chem A. - 2009 - 113(2009)360-366.
33) 二乙基锌的同步辐射真空紫外光电离光解离, - Acta Phys. -Chim. Sin - 2008 - 24(2008)1767
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