Faculty Profiles

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

Steinmann, SN, and Yang, W. "Wave function methods for fractional electrons." J Chem Phys 139.7 (August 21, 2013): 074107-. Full Text

Shenvi, N, Van Aggelen, H, Yang, Y, Yang, W, Schwerdtfeger, C, and Mazziotti, D. "The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r4) scaling." Journal of Chemical Physics 139.5 (August 7, 2013). Full Text

Shenvi, N, van Aggelen, H, Yang, Y, Yang, W, Schwerdtfeger, C, and Mazziotti, D. "The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling." J Chem Phys 139.5 (August 7, 2013): 054110-. Full Text

Wang, J, and Yang, W. "Concerted proton transfer mechanism of Clostridium thermocellum ribose-5-phosphate isomerase." The Journal of Physical Chemistry. B 117.32 (August 2, 2013): 9354-9361. Full Text

Peng, D, and Yang, W. "Fukui function and response function for nonlocal and fractional systems." J Chem Phys 138.18 (May 14, 2013): 184108-. Full Text

Virshup, AM, Contreras-García, J, Wipf, P, Yang, W, and Beratan, DN. "Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds." Journal of the American Chemical Society 135.19 (May 2, 2013): 7296-7303. Full Text

Zheng, X, Zhou, T, and Yang, W. "A nonempirical scaling correction approach for density functional methods involving substantial amount of Hartree-Fock exchange." The Journal of Chemical Physics 138.17 (May 2013): 174105-null. Full Text

Wu, P, Chaudret, R, Hu, X, and Yang, W. "Noncovalent Interaction Analysis in Fluctuating Environments." Journal of Chemical Theory and Computation 9.5 (May 2013): 2226-2234. Full Text

Chaudret, R, Parks, JM, and Yang, W. "Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs." J Chem Phys 138.4 (January 28, 2013): 045102-. Full Text

Peng, L, Gu, FL, and Yang, W. "Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals." Physical Chemistry Chemical Physics 15.37 (2013): 15518-15527. Full Text

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