Weitao Yang

Chemistry Duke University, Durham, NC 
quantum mechanical simulations of biological systems and nanostructures
"Weitao Yang"


Mean distance: 8.26


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Robert G. Parr grad student 1986 UNC Chapel Hill
 (Studies in Density Functional Theory: Chemical Reactivity; Kinetic Energy)
William Hughes Miller post-doc 1988-1989 UC Berkeley


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Yingkai Zhang grad student 1995-2000 Duke
Qin Wu grad student 2004 Duke
G. Andres Cisneros grad student 1999-2004 Duke
Zhenyu Lu grad student 2005 Duke
Qiang Xue grad student 2005 Duke
Steven K. Burger grad student 2007 Duke
Jerry M. Parks grad student 2008 Duke
Tim Heaton-Burgess grad student 2009 Duke
Xiancheng Zeng grad student 2010 Duke
Jun-Hyeong Kim post-doc Duke
Shubin Liu post-doc Duke
Neil-qiang Qiang Su post-doc
Darrin M. York post-doc 1993-1996 Duke
Paul W. Ayers post-doc 2001-2002 Duke
Erin R. Johnson post-doc 2008-2010 Duke
Julia Contreras-Garcia post-doc 2009-2011 Duke
Robin Chaudret post-doc 2011-2012 Duke
Christopher A. Sutton post-doc 2014-2015 Duke
BETA: Related publications


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Chen Z, Yang W. (2024) Development of a machine learning finite-range nonlocal density functional. The Journal of Chemical Physics. 160
Hu H, Yang W, Liu S. (2023) Efficient Computation of the Electrostatic Component of Solvation Free Energy via a Two-Point Padé Approximation. Journal of Chemical Theory and Computation
Kim JH, Kim D, Yang W, et al. (2023) Fractional Charge Density Functional Theory and Its Application to the Electro-inductive Effect. The Journal of Physical Chemistry Letters. 3329-3334
Mahler A, Williams J, Su NQ, et al. (2022) Localized orbital scaling correction for periodic systems. Physical Review. B. 106
Teale AM, Helgaker T, Savin A, et al. (2022) DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp
Li J, Yang W. (2022) Renormalized Singles with Correlation in Green's Function Theory for Accurate Quasiparticle Energies. The Journal of Physical Chemistry Letters. 9372-9380
Yu J, Su NQ, Yang W. (2022) Describing Chemical Reactivity with Frontier Molecular Orbitalets. Jacs Au. 2: 1383-1394
Yeh SH, Yang W, Hsu CP. (2022) Reformulation of thermally assisted-occupation density functional theory in the Kohn-Sham framework. The Journal of Chemical Physics. 156: 174108
Li J, Jin Y, Su NQ, et al. (2022) Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energies. The Journal of Chemical Physics. 156: 154101
Mei Y, Yu J, Chen Z, et al. (2022) LibSC: Library for Scaling Correction Methods in Density Functional Theory. Journal of Chemical Theory and Computation. 18: 840-850
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