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

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

Shenvi, N, Subotnik, JE, and Yang, W. "Phase-corrected surface hopping: correcting the phase evolution of the electronic wavefunction." J Chem Phys 135.2 (July 14, 2011): 024101-. Full Text

Zheng, X, Cohen, AJ, Mori-Sánchez, P, Hu, X, and Yang, W. "Improving band gap prediction in density functional theory from molecules to solids." Phys Rev Lett 107.2 (July 8, 2011): 026403-. Full Text

Zheng, X, Cohen, AJ, Mori-Sanchez, P, Hu, X, and Yang, W. "Improving Band Gap Prediction in Density Functional Theory from Molecules to Solids." PHYSICAL REVIEW LETTERS 107.2 (July 7, 2011). Full Text

Contreras-García, J, Johnson, ER, Keinan, S, Chaudret, R, Piquemal, J-P, Beratan, DN, and Yang, W. "NCIPLOT: a program for plotting non-covalent interaction regions." J Chem Theory Comput 7.3 (March 8, 2011): 625-632. Full Text

Sun, Z, and Yang, W. "An exact short-time solver for the time-dependent Schrodinger equation." JOURNAL OF CHEMICAL PHYSICS 134.4 (January 28, 2011). Full Text

Sun, Z, and Yang, W. "Communication: An exact short-time solver for the time-dependent Schrödinger equation." J Chem Phys 134.4 (January 28, 2011): 041101-. Full Text

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