Faculty Profiles

Weitao Yang
Philip Handler Distinguished Professor of Chemistry
5310 French Family Science Center, Durham, NC 27708
(919) 660-1562
(919) 660-1605



Ph.D., University of North Carolina at Chapel Hill 1986

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

Lewis, J. P., et al. “A Linear-Scaling Quantum Mechanical Investigation of Cytidine Deaminase.” Journal of Computational Physics, vol. 151, no. 1, May 1999, pp. 242–63. Scopus, doi:10.1006/jcph.1999.6219. Full Text

Zhang, Yingkai, et al. “A psuedo-bond approach to combining quantum mechanical and molecular mechanical methods.” J. Chem. Phys., vol. 110, 1999, pp. 46–54.

Zhang, Y., and W. Yang. “A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons.” Journal of Chemical Physics, vol. 109, no. 7, Dec. 1998, pp. 2604–08. Scopus, doi:10.1063/1.476859. Full Text

Yang, W. “Generalized adiabatic connection in density functional theory.” Journal of Chemical Physics, vol. 109, no. 23, Dec. 1998, pp. 10107–10. Scopus, doi:10.1063/1.477701. Full Text

Yang, W. T., et al. “Special issue: Symposium on density functional and applications (Part I of II) - Introduction.” International Journal of Quantum Chemistry, vol. 69, no. 3, JOHN WILEY & SONS INC, Aug. 1998, pp. 227–227.

Pan, W., et al. “Parallel implementation of divide-and-conquer semiempirical quantum chemistry calculations.” Journal of Computational Chemistry, vol. 19, no. 9, July 1998, pp. 1101–09. Scopus, doi:10.1002/(SICI)1096-987X(19980715)19:9<1101::AID-JCC10>3.0.CO;2-8. Full Text

Lewis, J. P., et al. “Active species for the ground-state complex of cytidine deaminase: A linear-scaling quantum mechanical investigation.” Journal of the American Chemical Society, vol. 120, no. 22, June 1998, pp. 5407–10. Scopus, doi:10.1021/ja973522w. Full Text

Acker, J. C., et al. “Serial in vivo observations of cerebral vasculature after treatment with a large single fraction of radiation..” Radiat Res, vol. 149, no. 4, Apr. 1998, pp. 350–59.

Lewis, J. P., et al. “Quantum mechanical methods for large biomolecular systems: Applications in the study of the cytidine deaminase enzyme.” Biophysical Journal, vol. 74, no. 2, BIOPHYSICAL SOCIETY, Feb. 1998, pp. A132–A132.

Pérez-Jordá, J. M., and W. Yang. “On the scaling of multipole methods for particle-particle interactions.” Chemical Physics Letters, vol. 282, no. 1, Jan. 1998, pp. 71–78. Scopus, doi:10.1016/S0009-2614(97)01153-6. Full Text