Zhengting Gan

Email: zgan@ornl.gov
Phone: 865-576-3360
Fax: none

Postdoctoral Position at ORNL,
Computational Chemical Sciences Group,
Computer Science and Mathematics Division

Education, Professional Experience, Activities, and Honors: Zhengting is a Postdoctoral associate at University of Tennessee working with Dr. Robert J. Harrison. He holds a bachelor degree in biochemistry and a doctorate in Chemical Physics. He had worked as a postdoctoral research associate in Prof. Mark Gordon's group between year 2001-2003.

Interests and Expertise: Electron correlation methods, CSF(UGA) and determinant based configuration interaction algorithms, High performance parallel computing, Parallel debugging

Relevant Publications:

  1. Zhengting Gan, Yuri Alexeev, Ricky Kendall, Mark Gordon, "The parallel implementation of FCI program", Journal of Chemical Physics. 119,1 (2003).
  2. Zhengting Gan, Yubin Wang, Zhenyi Wen, "CI benchmark calculations on PC", Journal of Computational Chemistry, 22(5), 560 (2001).
  3. Zhengting Gan, Kehe Su, Yubin Wang, Zhenyi Wen, "A method to fast determine the coupling coefficients in CI calculation", Science In China (Series B), 42(1), 43 (1999).
  4. Zhengting Gan, Kehe Su, Yubin Wang, Zhenyi Wen, "Several Excited States and Thermochemical Properties of PHn (n=3D1-3)- a High Level ab initio study", Chem.Phys., 228, 31(1998).
  5. Yubin Wang, Zhengting Gan, Kehe Su, Zhenyi Wen, "The multireference second order perturbation theory based on configuration", Science in China (B) 43(6) 567 2000.
  6. Yubin Wang, Zhengting Gan, Kehe Su, Zhenyi Wen, "An improved externally contracted CI method", Chem. Phys.Lett., 312, 277(1999).
  7. Yubin Wang, Zhengting Gan, Kehe Su, Zhenyi Wen, "An Adjusted contracted CI method", Science In China (Series B), 42, 6(1999).
  8. Kehe Su, Zhengting Gan, Xiaoling Hu, Yubin Wang, Zhenyi Wen, "High-level ab initio calculation of the dissociation and ionization energies of PH,PH2 and PH3 naturals and cations", Huaxue Wuli Xuebao, (10)4, 352 (1997).
  9. Kake Zhu, Zhengting Gan, Kehe Su, Yubin Wang, Zhenyi Wen, "An ab initio study on the reaction of CH and NO2, I. The thermodynamics of the reaction", Journal of Chemistry (2000).
  10. Mark Gordon, Yuri Alexeev, Zhengting Gan, Micheal Schmidt, Ricky Kendall, Joe Ivanic, Klaus Ruedenberg, "New advances in scalable electronic structure methods", 223rd ACS National Meeting, 2002.
  11. Takeshi Yanai, George I. Fann, Zhengting Gan, Gregory Beylkin and Robert J. Harrison "Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory", The Journal of Chemical Physics 121, 7, (2004).

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