Weitao Yang

Philip Handler Professor of Chemistry and Professor of Physics

Office: 
5310 French Science Center
Campus Box: 
90346
Phone: 
(919) 660-1562

Details

Wave function methods for fractional electrons
J. Chem. Phys (2013)

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds
J. Am. Chem. Soc. (2013)

Concerted proton transfer mechanism of clostridium thermocellum ribose-5-phosphate isomerase
J. Phys. Chem. B (2013)

Noncovalent interaction analysis in fluctuating environments.
Journal of Chemical Theory and Computation (2013)

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins
J. Chem. Phys (2013)

Benchmark tests and spin adaptation for the particle-particle random phase approximation
J. Chem. Phys (2013)

Dynamical second-order bethe-salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation
J. Chem Phys (2013)

Nciplot: A program for plotting noncovalent interaction regions.
Journal of Chemical Theory and Computation (2011)

Analysis of hydrogen-bond interaction potentials from the electron density: Integration of noncovalent interaction regions.
Journal of Physical Chemistry A (2011)

Conical intersections in solution: Formulation, algorithm, and implementation with combined quantum mechanics/molecular mechanics method
Journal of Chemical Physics (2011)

Education:
PhD - University of North Carolina, Chapel Hill
BS - Peking University, Beijing China
2006 Chang Jiang Scholar Visiting Professor, Tsinghua University; Beijing
2005 Recognized as a Highly Cited Researcher, Institute for Scientific Information
2003 Fellow of American Associaton for the Advancement of Science
2003 Fellow of American Physical Society
2000 Invitation Fellowship, Japanese Society for Promotion of Science
2000 Outstanding Overseas Chinese Scientist Award, Chinese National Science Foundation
1999 The Lee-Yang-Parr Correlation Energy Functional
1997 Annual Medal of the International Academy of Quantum Molecular Science
1993 Sloan Research Fellow
1984 The Award of Limited Service Assistantship, The Graduate School, University of North Carolina at Chapel Hill
1983 Dobbins Fellow, University of North Carolina at Chapel Hill
181 Three-Merit Student, Peking University