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

Lin, X, Hu, X, Concepcion, JJ, Chen, Z, Liu, S, Meyer, TJ, and Yang, W. "Theoretical study of catalytic mechanism for single-site water oxidation process." Proceedings of the National Academy of Sciences of the United States of America 109.39 (2012): 15669-15672. Full Text

Xu, Y, Wang, B-J, Ke, S-H, Yang, W, and Alzahrani, AZ. "Highly tunable spin-dependent electron transport through carbon atomic chains connecting two zigzag graphene nanoribbons." Journal of Chemical Physics 137.10 (2012). 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

Shenvi, N, and Yang, W. "An algebraic operator approach to electronic structure." J Chem Phys 135.24 (December 28, 2011): 244111-. Full Text

Contreras-García, J, Yang, W, and Johnson, ER. "Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions." J Phys Chem A 115.45 (November 17, 2011): 12983-12990. Full Text

Wu, P, Hu, X, and Yang, W. "lambda-Metadynamics Approach To Compute Absolute Solvation Free Energy." JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2.17 (September 1, 2011): 2099-2103. Full Text