Faculty Profiles

Weitao Yang
Philip Handler Professor of Chemistry
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

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

Wang, H, and Yang, W. "Force Field for Water Based on Neural Network." The Journal of Physical Chemistry Letters 9.12 (June 4, 2018): 3232-3240. 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, DD, 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

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

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

Hu, L, Xu, C, Peng, L, Gu, FL, and Yang, W. "Photocatalytic activity and the radiative lifetimes of excitons via an ab initio approach." Journal of Materials Chemistry A 6.31 (January 1, 2018): 15027-15032. Full Text

Wang, W, Yang, W, and Li, Z. "Field Electron Emission Images Far Away from a Semi-Infinitely Long Emitter: A Multiscale Simulation(Accepted)." Journal of Physical Chemistry C (January 1, 2018). Full Text