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The Journal of Chemical Physics|December 3, 2008
Exploring chemical space with discrete, gradient, and hybrid optimization methodsD Balamurugan, Weitao Yang, David N Beratan
The Journal of Physical Chemistry Letters|January 6, 2019
Renormalized Singles Green's Function for Quasi-Particle Calculations beyond the G0 W0 ApproximationYe Jin, Neil Qiang Su, Weitao Yang
Physical Review Letters|March 16, 2007
Spin-potential functional formalism for current-carrying noncollinear magnetic systemsTim Heaton-Burgess, Paul Ayers, Weitao Yang
Journal of Chemical Theory and Computation|May 18, 2018
Accurate Treatment of Charge-Transfer Excitations and Thermally Activated Delayed Fluorescence Using the Particle-Particle Random Phase ApproximationRachael Al-Saadon, Christopher Sutton, Weitao Yang
The Journal of Physical Chemistry Letters|February 1, 2020
Preserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction ApproachNeil Qiang Su, Aaron Mahler, Weitao Yang
The Journal of Chemical Physics|April 19, 2011
Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamicsNeil Shenvi, Joseph E Subotnik, Weitao Yang
Physical Review Letters|February 7, 2003
Spin and conductance-peak-spacing distributions in large quantum dots: a density-functional theory studyHong Jiang, Harold U Baranger, Weitao Yang
The Journal of Chemical Physics|October 15, 2005
Analytic energy gradients of the optimized effective potential methodQin Wu, Aron J Cohen, Weitao Yang
The Journal of Chemical Physics|August 7, 2008
Inverse molecular design in a tight-binding frameworkDequan Xiao, Weitao Yang, David N Beratan
Nano Letters|April 1, 2009
Contact geometry and conductance of crossed nanotube junctions under pressureFelipe A Bulat, Luise Couchman, Weitao Yang
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