Weitao Yang

Philip Handler Professor of Chemistry and Professor of Physics

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


Fukui function and response function for nonlocal and fractional systems
J. Chem. Phys (2013)

Improving single molecule force spectroscopy through automated real-time data collection and quantication of experimental conditions
Biophysical Journal (2013)

The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with o(r(4)) scaling.
J. Chem. Phys (2013)

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)

Single-molecule conductance of pyridine-terminated dithienylethene switch molecules
ACS Nano (2011)

lambda-metadynamics approach to compute absolute solvation free energy
Journal of Physical Chemistry Letters (2011)

Improving band gap prediction in density functional theory from molecules to solids
Physical Review Letters (2011)

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