Ph.D., University of North Carolina at Chapel Hill 1986
B.S., Peking University (China) 1982
Shen, L, Zeng, X, Hu, H, Hu, X, and Yang, W. "Accurate Quantum Mechanical/Molecular Mechanical Calculations of Reduction Potentials in Azurin Variants." Journal of Chemical Theory and Computation (August 10, 2018). Full Text
Sutton, C, Yang, Y, Zhang, D, and Yang, W. "Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-Conjugated Systems." The Journal of Physical Chemistry Letters 9.14 (July 6, 2018): 4029-4036. Full Text
Al-Saadon, R, Sutton, C, and Yang, W. "Accurate Treatment of Charge-Transfer Excitations and Thermally Activated Delayed Fluorescence Using the Particle-Particle Random Phase Approximation." Journal of Chemical Theory and Computation 14.6 (June 2018): 3196-3204. Full Text
Zhang, D, Yang, X, Zheng, X, and Yang, W. "Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies." Molecular Physics 116.7-8 (April 18, 2018): 927-934. Full Text
Contreras-García, J, and Yang, W. "Perspective: Chemical information encoded in electron density." Wuli Huaxue Xuebao/ Acta Physico Chimica Sinica 34.6 (March 20, 2018): 567-580. Full Text
Zhang, X, Li, X, Reish, ME, Zhang, D, Su, NQ, Gutiérrez, Y, Moreno, F, Yang, W, Everitt, HO, and Liu, J. "Plasmon-Enhanced Catalysis: Distinguishing Thermal and Nonthermal Effects." Nano Letters 18.3 (March 2018): 1714-1723. Full Text
Shen, L, and Yang, W. "Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks." Journal of Chemical Theory and Computation 14.3 (March 2018): 1442-1455. Full Text
Li, C, Zheng, X, Su, NQ, and Yang, W. "Localized orbital scaling correction for systematic elimination of delocalization error in density functional approximations." National Science Review 5.2 (March 1, 2018): 203-215. Full Text
Li, G, Zhang, D, Yu, Y, Huang, S, Yang, W, and Cao, L. "Activating MoS2 for pH-Universal Hydrogen Evolution Catalysis." Journal of the American Chemical Society 139.45 (November 2, 2017): 16194-16200. Full Text
Scholl, ZN, Li, Q, Yang, W, and Marszalek, P. "Single-Molecule Force-Spectroscopy Reveals the Calcium Dependency of Folding Intermediates in the Multidomain Protein S." February 2016. Full Text
Scholl, ZN, Yang, W, and Marszalek, P. "Direct Observation of Multimer Stabilization in the Mechanical Unfolding Pathway of a Protein Undergoing Oligomerization." February 2016. Full Text
Wang, W, Li, Z, and Yang, W. "Angular momentum dependent field emission energy distribution." August 26, 2015. Full Text
Scholl, ZN, Yang, W, and Marszalek, P. "N-terminal Domain Of Luciferase Controls Misfolding Avoidance." July 2014.
Yang, W. "Mechanism of catalytic reactions and redox processes for solar fuel with multiscale QM/MM simulation." September 8, 2013.
Scholl, ZN, Yang, W, and Marszalek, PE. "Improving Single Molecule Force Spectroscopy through Automated Real-Time Data Collection and Quantification of Experimental Conditions." January 29, 2013. Full Text
Yang, W. "Progress in exchange-correlation energy functionals." August 28, 2011.
Rinderspacher, BC, Beratan, DN, and Yang, W. "CINF 71-Inverse design of host-guest complexes in competitive binding problems." August 17, 2008.
Cohen, AJ, Mori-Sanchez, P, Heaton-Burgess, T, Bulat, FA, and Yang, W. "COMP 436-Accurate density functionals addressing the self-interaction error and potential functional formalism." August 19, 2007.
Yang, WT, Lu, ZY, and Wang, ML. "Reaction path potential for simulation of chemical reactions in enzymes derived from ab initio QM/MM calculations." August 22, 2004.