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.

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

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. 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