about
Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase Approximation.Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals.Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials.Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase Approximations.Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.Plasmon-Enhanced Catalysis: Distinguishing Thermal and Nonthermal Effects.Molecular Dynamics Simulations with Quantum Mechanics / Molecular Mechanics and Adaptive Neural Networks.The role of conformational fluctuations of protein towards methylation in DNA by cytosine-5-MethyltransferaseAccurate Treatment of Charge-Transfer Excitations and Thermally Activated Delayed Fluorescence Using the Particle-Particle Random Phase Approximation.Force Field for Water Based on Neural NetworkSingle, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-Conjugated SystemsPreserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction ApproachAccurate Quantum Mechanical/Molecular Mechanical Calculations of Reduction Potentials in Azurin VariantsToward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural NetworkSolvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning ModelsApproximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham CalculationsRenormalized Singles Green's Function for Quasi-Particle Calculations beyond the G0 W0 ApproximationExcited-State Potential Energy Surfaces, Conical Intersections, and Analytical Gradients from Ground-State Density Functional TheoryRevisiting the Hole Size in Double Helical DNA with Localized Orbital Scaling CorrectionsExcitation Energies from the Single-Particle Green's Function with the GW ApproximationEngineering Substrate Interaction To Improve Hydrogen Evolution Catalysis of Monolayer MoS2 Films beyond PtCharge transfer excitation energies from ground state density functional theory calculations
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P50
description
researcher
@en
name
Weitao Yang
@en
type
label
Weitao Yang
@en
prefLabel
Weitao Yang
@en
P31
P496
0000-0001-5576-2828