Faculty Profiles

Weitao Yang
Philip Handler Professor of Chemistry in Trinity College of Arts and Sciences
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

Su, NQ, Yang, W, Mori-Sánchez, P, and Xu, X. "Fractional charge behavior and band gap predictions with the XYG3 type of doubly hybrid density functionals." The journal of physical chemistry. A 118.39 (October 2014): 9201-9211. Full Text

Yang, Y, Peng, D, Lu, J, and Yang, W. "Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies." The Journal of Chemical Physics 141.12 (September 28, 2014): 124104-124104. Full Text

Li, Y, Nese, A, Hu, X, Lebedeva, NV, LaJoie, TW, Burdyńska, J, Stefan, MC, You, W, Yang, W, Matyjaszewski, K, and Sheiko, SS. "Shifting Electronic Structure by Inherent Tension in Molecular Bottlebrushes with Polythiophene Backbones." ACS Macro Letters 3.8 (August 19, 2014): 738-742. Full Text

Shenvi, N, van Aggelen, H, Yang, Y, and Yang, W. "Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4))." The Journal of chemical physics 141.2 (July 2014): 024119-. Full Text

van Aggelen, H, Yang, Y, and Yang, W. "Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation." The Journal of chemical physics 140.18 (May 2014): 18A511-. Full Text

Peng, D, van Aggelen, H, Yang, Y, and Yang, W. "Linear-response time-dependent density-functional theory with pairing fields." The Journal of chemical physics 140.18 (May 2014): 18A522-. Full Text

Yang, W. "Preface: Special topic on advances in density functional theory." The Journal of chemical physics 140.18 (May 2014): 18A101-. Full Text

Chaudret, R, Contreras-Garcia, J, Delcey, M, Parisel, O, Yang, W, and Piquemal, J-P. "Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold Cation." Journal of chemical theory and computation 10.5 (May 2014): 1900-1909. Full Text

Yu, Y, Huang, S-Y, Li, Y, Steinmann, SN, Yang, W, and Cao, L. "Layer-Dependent Electrocatalysis of MoS 2 for Hydrogen Evolution." Nano Letters 14.2 (February 12, 2014): 553-558. Full Text

Franks, AT, Peng, D, Yang, W, and Franz, KJ. "Characterization of a photoswitching chelator with light-modulated geometric, electronic, and metal-binding properties." Inorganic chemistry 53.3 (February 2014): 1397-1405. Full Text