Thesis:

• M.S. A Wavelet Based Algorithm for Image Super-Resolution Emory University 2007 [PDF]
• Ph.D. Ab initio Molecular Potential Energy Surface Construction and Molecular Dynamics Simulation for Small Molecules Emory University 2008 [URL] [PDF]

Journal Papers:

1. Optimal Security Response to Attacks on Open Science Grids
   Mine Altunay, Sven Leyffer, Jeffrey T. Linderoth, and Zhen Xie^*
   Comput. Netw., 55 (1), 61-73, 2011. [DOI:10.1016/j.comnet.2010.07.012]
2. Dissociation Dynamics of Isotopologs of CH₅ Studied by Charge Exchange of CH₅⁺ with Cs and Quasiclassical Trajectory Calculations
   Jennifer E. Mann, Zhen Xie, John D. Savee, Joel M. Bowman, Robert E. Continetti
   J. Phys. Chem. A, 114 (43), 11408-11416, 2010. [DOI:10.1021/jp105119v]
3. Surrogate-Based Modeling of the Optical Response of Metallic Nanostructures
   Ryan Miller, Zhen Xie, Sven Leyffer, Michael Davis, Stephen Gray
   J. Phys. Chem. C, 114 (48), 20741-20748, 2010. [DOI:10.1021/jp1067632]
4. Depression of reactivity by the collision energy in the single barrier H + CD₄→HD + CD₃ reaction
   Weiqing Zhang, Yong Zhou, Guorong Wu, Yunpeng Lu, Huilin Pan, Bina Fu, Quan Shuai, Lan Liu, Shu Liu, Liling Zhang, Bo Jiang, Dongxu Dai, Soo-Ying Lee, Zhen Xie, Bastiaan J. Braams, Joel M. Bowman, Michael A. Collins, Dong H. Zhang and Xueming Yang
   Proc. Natl. Acad. Sci. USA ,107, 12782-12785, 2010. [DOI:10.1073/pnas.1006910107]
5. Ab initio-based Potential Energy Surfaces For Complex Molecules and Molecular Complexes
   J. M. Bowman, B. J. Braams, S. Carter, C. Chen, G. Czako, B. Fu, X. Huang, E. Kamarchik, A. R. Sharma, B. C. Shepler, Y. Wang, and Zhen Xie
   J. Phys. Chem. Lett, 1, 1866-1874, 2010. [BIB] [DOI:10.1021/jz100626h]
6. Seven-degree-of-freedom, Quantum Scattering Dynamics Study of the H₂D⁺ + H₂ reaction
   Dunyou Wang, Zhen Xie and Joel M. Bowman
   J. Chem. Phys., 132,084305, 2010. [BIB] [DOI:10.1063/1.3329730]
7. Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization
   Zhen Xie^* and Joel M. Bowman
   J. Chem. Theory Comput., 6(1), 26-34, 2010. [BIB] [DOI:10.1021/ct9004917] [CODE] [ANL/MCS-P1674-0909]
8. Production of vibrationally excited H₂O from charge exchange of H₃O⁺ with Cesium
   J.E. Mann, Zhen Xie, J.D. Savee, J.M. Bowman, and R.E. Continetti
   J. Chem. Phys., 130:041102, 2009. [BIB] [DOI:10.1063/1.3068334]
9. Probing the structure of CH₅⁺ by dissociative charge exchange
   J.E. Mann, Zhen Xie, J.D. Savee, B.J. Braams, J.M. Bowman, and R.E. Continetti
   J. Am. Chem. Soc., 130:3730, 2008. [BIB] [DOI:10.1021/ja0782504]
10. Vibrational ground state properties of H₅⁺ and its isotopomers from diffusion monte carlo calculations
    P.H. Acioli, Zhen Xie, B.J. Braams, and J.M. Bowman
    J. Chem. Phys., 128:104318, 2008. [BIB] [DOI:10.1063/1.2838847]
11. Quasiclassical trajectory study of the reaction H+CH₄(&nu₃=0,1)→ CH₃+H₂ using a new ab initio potential energy surface
    Zhen Xie, J.M. Bowman, and X.B. Zhang
    J. Chem. Phys., 125:133120, 2006. [BIB] [DOI:10.1063/1.2238871]
12. Quasiclassical trajectory study of the reaction of fast h atoms with C-H stretch excited CHD₃
    Zhen Xie and J.M. Bowman
    Chem. Phys. Lett., 429:355-359, 2006. [BIB] [DOI:10.1016/j.cplett.2006.08.039]
13. Zero-point energy constraint in quasi-classical trajectory calculations
    Zhen Xie and J.M. Bowman
    J. Phys. Chem. A, 110:5446-5449, 2006. [BIB] [DOI:10.1021/jp055861e]
14. Ab initio global potential-energy surface for H₅⁺→ H₃⁺ + H₂
    Zhen Xie, B.J. Braams, and J.M. Bowman
    J. Chem. Phys., 122:224307, 2005. [BIB] [DOI:10.1063/1.1927529]
15. Chemoselective carbonyl benzylation mediated by Zn/CdCl₂/InCl₃ in tap water
    C.L. Zhou, J.Y. Jiang, Y.Q. Zhou, Zhen Xie, Q. Miao, and Z.Y. Wang
    Lett. Org. Chem., 2:61-64, 2005. [BIB] [PDF]
16. Organometallic reactions in aqueous media: the allylations of carbonyl compounds mediated in Zn/CdSO₄ and Zn/SnCl₂ bimetal systems
    C.L. Zhou, Y.Q. Zhou, J.Y. Jiang, Zhen Xie, Z.Y. Wang, J.H. Zhang, J.H. Wu, and H. Yin
    Tetrahedron Lett., 45:5537-5540, 2004. [BIB] [DOI:10.1016/j.tetlet.2004.05.070]
17. High regio- and stereoselective barbier reaction of carbonyl compounds mediated by NaBF₄/Zn(Sn) in water
    Z.G. Zha, Zhen Xie, C.L. Zhou, M.X. Chang, and Z.Y. Wang
    New J. Chem., 27:1297-1300, 2003. [BIB] [DOI:10.1002/chin.200411057]
18. Nanosilver fabrication under the control of ligands containing pyridyl group in solution phase with photoreduction method
    Zhen Xie, Z.Y. Wang, Y.X. Ke, Z.G. Zha, and C. Jiang
    Chem. Lett., 32:686-687, 2003. [BIB] [DOI:10.1246/cl.2003.686]
19. Importance of sigma-type hyperconjugation to the eclipsed structure of propylene
    B.L. Lin, Zhen Xie, R. Liu, L. Liu, and Q.X. Guo
    Theochem-J. Mol. Struct., 633:15-19, 2003. [BIB] [DOI:10.1016/S0166-1280(03)00283-5]
20. Chemoselective benzylation an allylation of 4-nitrobenzaldehyde promoted by phase transfer catalyst and metal in aqueous media
    Z.G. Zha, Zhen Xie, C.L. Zhou, Z.Y. Wang, and Y.S. Wang
    Chin. J. Chem., 20:1477-1480, 2002. [BIB] [PDF]