研究领域：
	计算材料学

社会任职：

获奖及荣誉：

承担科研项目情况：
	（1）    中国科学院留学经费择优支持回国工作基金：稀土和过渡元素功能材料设计和性质预测研究，（2）    吉林省科技厅项目：新波段激光晶体研制开发，（3）    加拿大Killam基金会：Computational study of DNA-protein cross-links,（4）    国家自然科学基金面上项目：新型类钙钛矿结构化合物的理论设计与实验合成，（5）    国家自然科学基金面上项目：5d过渡金属氮化物的晶体结构及弹性性质第一性原理研究，

代表论著：

1.Cheng L., Wang J. P., Wang M. Y., Wu Z. J.,* Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst. Dalton Transactions, 3286-3297(2009).2.Wang M. Y., Cheng L., Hong B., Wu Z. J.,* Reaction Mechanism of Palladium-Catalyzed Silastannation of Allenes by Density Functional Theory. Journal of Computational Chemistry, 30, 1521-1531(2009).3. Wang M. Y., Cheng L., Hong B., Wu Z. J.,* Regioselective Bis-selenation of Allenes Catalyzed by Palladium Complex: A Theoretical Study. Organometallics, 28, 1506-1513(2009).4. Song W. Y., Zhao E. J., Meng J., Wu Z. J.,* Near compensated half metal in Sr2NiOsO6. Journal of Chemical Physics, 130, 114707(2009).5. Xiang H. P., Wu Z. J.,* Ab initio study on the electronic, magnetic and mechanical properties of CaCu3V4O12. Inorganic Chemistry, 47, 2706-2709(2008).6. Wang M. Y., Cheng L., Wu Z. J.,* Theoretical studies on the reaction mechanism of palladium(0)-catalyzed addition of thiocyanates to alkynes. Dalton Transactions, 3879-3888(2008).7. Xiang H. P., Liu X. J., Zhao E. J., Meng J., Wu Z. J.,* First-principles study on the conducting mechanism of the heavy-fermion system CaCu3Ru4O12. Physical Review B, 76, Art. No. 155103(2007).8. Xiang H. P., Liu X. J., Zhao E. J., Meng J., Wu Z. J.,* Ferrimagnetic and half-metallic CaCu3Fe4O12: Prediction from first principles investigation. Applied Physics Letters, 91(1), Art. No. 011903(2007).9. Wu Z. J.,* Hao X. F., Liu X. J., Meng J., Structures and elastic properties of OsN2 investigated via first-principles density functional calculation. Physical Review B, 75, Art. No. 054115(2007).