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The Journal of Chemical Physics|April 15, 2019
Charge transfer excitation energies from ground state density functional theory calculationsYuncai Mei, Weitao Yang
The Journal of Chemical Physics|July 11, 2023
Toward a general neural network force field for protein simulations: Refining the intramolecular interaction in proteinPan Zhang, Weitao Yang
The Journal of Chemical Physics|February 2, 2011
Communication: An exact short-time solver for the time-dependent Schrödinger equationZhigang Sun, Weitao Yang
The Journal of Chemical Physics|January 10, 2012
An algebraic operator approach to electronic structureNeil Shenvi, Weitao Yang
Journal of Chemical Theory and Computation|February 14, 2018
Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural NetworksLin Shen, Weitao Yang
The Journal of Chemical Physics|October 27, 2016
Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximationDu Zhang, Weitao Yang
Annual Review of Physical Chemistry|April 9, 2008
Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methodsHao Hu, Weitao Yang
The Journal of Physical Chemistry. B|July 24, 2013
Concerted proton transfer mechanism of Clostridium thermocellum ribose-5-phosphate isomeraseJun Wang, Weitao Yang
The Journal of Chemical Physics|June 17, 2016
Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theoryHao Wang, Weitao Yang
The Journal of Chemical Physics|December 20, 2012
Achieving partial decoherence in surface hopping through phase correctionNeil Shenvi, Weitao Yang
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