Ph.D., University of North Carolina at Chapel Hill 1986
B.S., Peking University (China) 1982
Jiang, H., et al. “Density-functional theory simulation of large quantum dots.” Physical Review B Condensed Matter and Materials Physics, vol. 68, no. 16, 2003, pp. 1653371–79.
Jiang, Hong, et al. “Desnity functional theory simulation of large quantum dots.” Phys. Rev. B., vol. 68, 2003.
Yang, Weitao, and Qin Wu. “Direct method for optimized effective potentials in density-functional theory..” Physical Review Letters, vol. 89, no. 14, Sept. 2002. Epmc, doi:10.1103/physrevlett.89.143002. Full Text
Yang, Wei, et al. “Structural analysis, identification, and design of calcium-binding sites in proteins..” Proteins, vol. 47, no. 3, May 2002, pp. 344–56. Pubmed, doi:10.1002/prot.10093. Full Text
Yang, W. T., et al. “Developments and applications of a DFT QM/MM free energy method for simulation of chemical reactions in enzymes..” Abstracts of Papers of the American Chemical Society, vol. 223, AMER CHEMICAL SOC, Apr. 2002, pp. C89–C89.
Cisneros, G. A., et al. “QM/MM study of the reaction mechanism of 4-oxalocrotonate tautomerase..” Abstracts of Papers of the American Chemical Society, vol. 223, AMER CHEMICAL SOC, Apr. 2002, pp. C78–C78.
Lu, Z. Y., et al. “A QM/MM study on the structure and catalysis mechanism of PDE4B..” Abstracts of Papers of the American Chemical Society, vol. 223, AMER CHEMICAL SOC, Apr. 2002, pp. C76–C76.
Wu, Q., and W. Yang. “Empirical correction to density functional theory for van der Waals interactions.” Journal of Chemical Physics, vol. 116, no. 2, Jan. 2002, pp. 515–24. Scopus, doi:10.1063/1.1424928. Full Text
Liu, H., et al. “Quantum mechanics simulation of protein dynamics on long timescale..” Proteins, vol. 44, no. 4, Sept. 2001, pp. 484–89. Epmc, doi:10.1002/prot.1114. Full Text
Baik, M. H., et al. “Using density functional theory to design DNA base analogues with low oxidation potentials.” Journal of Physical Chemistry B, vol. 105, no. 27, July 2001, pp. 6437–44. Scopus, doi:10.1021/jp010643g. Full Text