研究方向
(1) 功能材料的分子設計; (2) 納米材料的生長動力學研究；（3）藥物分子與生物大體系相互作用機理的研究及新型藥物分子設計; (4)混合團簇的基態和激發態的幾何結構、電子結構和光譜性質的研究。
發表論文
1.“The Effect of Solvents on The Conformations of Amyloid Beta-peptide(1-42) studied by Molecular Dynamics Simulation”， J. Mol. Struct. (Theochem). 2009, 895(1-3): 1～8.
2.“Geometries and Stabilities of (n+4)-membered Monocyclic CnB4(n=2-9) clusters”. J. Mol. Struct. (Theochem). 2008, 855(1-3): 82～91.
3.“Theoretical study of electronic structures and spectroscopic properties of Ga3Sn,GaSn3, and their ions”, Spectrochimica Acta Part A Mol. Biomol. Spectroscopy, 2007, 66, 153.
4.“Spectroscopic properties of gallium arsenidetetramer: Ga2As2, Ga2As2+, and Ga2As2－”, Spectrochimica Acta Part A Mol. Biomol. Spectroscopy, 2005, 61(11-12), 2730.
5.“Molecular dynamics simulation of homogeneous nucleation of KBr cluster”, J. Phys. Chem. Solids, 2005,66(10),1732-1738.
6.“Structures and stabilities of medium silicon clusters II: Ab initio molecular orbital calculations of Si12-Si20”, J. Chem. Phys., 2004,120，8985.
7.“Structures and stabilities of small silicon clusters: Ab initio molecular orbital calculations of Si7-Si11”, J. Chem. Phys., 2003,118,3558.
