教育经历：
1984年获西南大学物理学士学位
1987年获四川大学统计物理硕士学位
1996年获南京大学凝聚态物理博士学位
研究领域：
先进材料的模拟计算与设计
1. 储氢能源材料：纳米结构及纳米复合材料的储氢特性；金属催化剂对储氢的影响；金属有机物及多孔高分子材料的储氢性能。
2. 光-电，热-电及力-电转换材料。
3. 功能组装材料。
4. 环境材料: 模拟环境和植物中重金属元素的聚集、输运、离解与吸附。
代表性论文：
(1) Magnetism of phthalocyanine-based organometallic single porous sheet
J. Am. Chem. Soc. 133, 15113 (2011).
(2) Manganese-Based Magnetic Superhalogens
Angew. Chem. Int. Ed. 50, 2568 (2011).
(3) Electric Field Enhanced Hydrogen Storage on Polarizable Materials Substrates
PNAS 107, 2801(2010).
入选“2010年中国百篇最具影响国际学术论文”
(4) Ferromagnetism in semihydrogenated graphene sheet
Nano Lett. 9, 3867(2009).
(5) Potential of AlN Nanostructures as Hydrogen Storage Materials
ACS NANO 3, 621 (2009)
(6) Design of Janus nanoparticles with atomic precision: Tungsten-doped gold nanostructures
ACS NANO 2, 341 (2008)
(7) First-principles study of hydrogen storage in Li12C60
J. Am. Chem. Soc. 128, 9741 (2006).
(8) Clustering of Ti on a C60 fullerene and its effect on hydrogen adsorption
J. Am. Chem. Soc. (Communication) 127, 14582 (2005).
(9) Direct observation of key reaction intermediates on gold clusters
J. Am. Chem. Soc. (Communication) 125, 2848 (2003).
(10) Ferromagnetism in Mn doped GaN Nanowire
Phys. Rev. Lett. 95, 167202 (2005).
(11) Electronic structure and bonding of Au on SiO2 cluster: A nano bullet for tumors
Phys. Rev. Lett. 93, 186803 (2004).
(12) Comment on ‘‘Fully coordinated silica nanoclusters: (SiO2)N molecular rings’’
Phys. Rev. Lett. 92, 039601 (2004).
(13) Antiferromagnetic coupling driven by bond length contraction near GaMnN film
Phys. Rev. Lett. 93, 155501 (2004).
(14) Stabilization of Si60 cage structure
Phys. Rev. Lett. 90, 135503 (2003).
(15) Storage of molecular hydrogen in B-N cage: Energetics and thermal stability.
Nano Letters 5, 1273 (2005).
(16) Ferromagnetic GaN-Cr nanowires
Nano Letters 5, 1587 (2005).
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