Weitao Yang
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
1988/01/15 by Chengteh Lee, Weitao Yang, Robert G. Parr · 217 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Spectroscopy and Quantum Chemical Studies
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
2022/01/01 by Andrew M. Teale, Trygve Helgaker, Andreas Savin +67 · 12 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Advanced Chemical Physics Studies
- Benchmark of \boldsymbolGW Methods for Core-Level Binding Energies
2022/06/11 by Jiachen Li, Ye Jin, Li, Jiachen +7 · 10 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science
- Development of a machine learning finite-range nonlocal density functional
2024/01/05 by Zehua Chen, Weitao Yang · 1 voice · 1 citation
Materials Science · Engineering · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Advanced Materials Characterization Techniques
- NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects
2025/02/05 by Ge Song, Weitao Yang, Song, Ge +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Materials Science #Protein Structure and Dynamics
- Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
2024/06/26 by Jiachen Li, Yu Jin, Li, Jiachen +7 · 2 citations
Engineering · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Integrated Circuits and Semiconductor Failure Analysis #Materials Science (cond-mat.mtrl-sci) #Surface Roughness and Optical Measurements