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

Yang, W, Cohen, AJ, De Proft, F, and Geerlings, P. "Analytical evaluation of Fukui functions and real-space linear response function." J Chem Phys 136.14 (April 14, 2012): 144110-. Full Text

Lee, W, Zeng, X, Rotolo, K, Yang, M, Schofield, CJ, Bennett, V, Yang, W, and Marszalek, PE. "Mechanical anisotropy of ankyrin repeats." Biophys J 102.5 (March 7, 2012): 1118-1126. Full Text

Johnson, ER, Contreras-García, J, and Yang, W. "Density-functional errors in alkanes: A real-space perspective." Journal of Chemical Theory and Computation 8.8 (2012): 2676-2681. Full Text

Peng, D, Zhao, B, Cohen, AJ, Hu, X, and Yang, W. "Optimized effective potential for calculations with orbital-free potential functionals." Molecular Physics 110.9-10 (2012): 925-934. Full Text

Mori-Sánchez, P, Cohen, AJ, and Yang, W. "Failure of the random-phase-approximation correlation energy." Physical Review A - Atomic, Molecular, and Optical Physics 85.4 (2012). Full Text

Cohen, AJ, Mori-Sánchez, P, and Yang, W. "Challenges for density functional theory." Chemical Reviews 112.1 (2012): 289-320. Full Text

Yang, W, Mori-Sanchez, P, and Cohen, AJ. "Insight and progress in density functional theory." AIP Conference Proceedings 1504 (2012): 605-606. Full Text

Cohen, AJ, Mori-Sánchez, P, and Yang, W. "Challenges for density functional theory." Chemical reviews 112.1 (January 2012): 289-320. Full Text

Zhang, J, Yang, W, Piquemal, J-P, and Ren, P. "Modeling structural coordination and ligand binding in zinc proteins with a polarizable potential." Journal of Chemical Theory and Computation 8.4 (2012): 1314-1324. Full Text

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