Faculty Profiles

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

Overview

Education:

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

B.S., Peking University (China) 1982

Research Areas:
Theoretical, Physical

Yang, Weitao, et al. “Extension of many-body theory and approximate density functionals to fractional charges and fractional spins..” The Journal of Chemical Physics, vol. 139, no. 10, Sept. 2013. Epmc, doi:10.1063/1.4817183. Full Text

Steinmann, S. N., and W. Yang. “Wave function methods for fractional electrons.” Journal of Chemical Physics, vol. 139, no. 7, Aug. 2013. Scopus, doi:10.1063/1.4817849. Full Text

Shenvi, N., et al. “The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r4) scaling.” Journal of Chemical Physics, vol. 139, no. 5, Aug. 2013. Scopus, doi:10.1063/1.4817184. Full Text

Wang, Jun, and Weitao Yang. “Concerted proton transfer mechanism of Clostridium thermocellum ribose-5-phosphate isomerase..” The Journal of Physical Chemistry. B, vol. 117, no. 32, Aug. 2013, pp. 9354–61. Epmc, doi:10.1021/jp404948c. Full Text

Shenvi, Neil, et al. “The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling..” The Journal of Chemical Physics, vol. 139, no. 5, Aug. 2013. Epmc, doi:10.1063/1.4817184. Full Text

Steinmann, Stephan N., and Weitao Yang. “Wave function methods for fractional electrons..” The Journal of Chemical Physics, vol. 139, no. 7, Aug. 2013. Epmc, doi:10.1063/1.4817849. Full Text

Virshup, Aaron M., et al. “Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds..” Journal of the American Chemical Society, vol. 135, no. 19, May 2013, pp. 7296–303. Epmc, doi:10.1021/ja401184g. Full Text

Peng, Degao, and Weitao Yang. “Fukui function and response function for nonlocal and fractional systems..” The Journal of Chemical Physics, vol. 138, no. 18, May 2013. Epmc, doi:10.1063/1.4803101. Full Text

Wu, Pan, et al. “Noncovalent Interaction Analysis in Fluctuating Environments..” Journal of Chemical Theory and Computation, vol. 9, no. 5, May 2013, pp. 2226–34. Epmc, doi:10.1021/ct4001087. Full Text

Zheng, Xiao, et al. “A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchange..” The Journal of Chemical Physics, vol. 138, no. 17, May 2013. Epmc, doi:10.1063/1.4801922. Full Text

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