1988 · Physical review. B, Condensed matter
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
101,558 citationsRead
About
Weitao Yang is a Chinese-born American chemist who is the Philip Handler Professor of Chemistry at Duke University. His main contributions to chemistry include density functional theory development, and its applications to chemistry.
Most cited
545 papers in total2010 · Journal of the American Chemical Society
Revealing Noncovalent Interactions
9,686 citationsRead
2011 · Journal of Chemical Theory and Computation
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
4,151 citationsRead
1984 · Journal of the American Chemical Society
Density functional approach to the frontier-electron theory of chemical reactivity
3,688 citationsRead
1998 · Physical Review Letters
Comment on “Generalized Gradient Approximation Made Simple”
2,968 citationsRead
2011 · Chemical Reviews
Challenges for Density Functional Theory
2,620 citationsRead
Newest first
545 papers in total2022
- Describing Chemical Reactivity with Frontier Molecular OrbitaletsJACS Au · 300 citations
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials sciencePhysical Chemistry Chemical Physics · 291 citations
- Benchmark of GW Methods for Core-Level Binding EnergiesJournal of Chemical Theory and Computation · 75 citations
2021
- Unveiling structure-performance relationships from multi-scales in non-fullerene organic photovoltaicsNature Communications · 183 citations
- Mitigating Dark Current for High-Performance Near-Infrared Organic Photodiodes via Charge Blocking and Defect PassivationACS Applied Materials & Interfaces · 90 citations
2020
- Engineering Substrate Interaction To Improve Hydrogen Evolution Catalysis of Monolayer MoS2 Films beyond PtACS Nano · 148 citations
- Preserving Symmetry and Degeneracy in the Localized Orbital Scaling Correction ApproachThe Journal of Physical Chemistry Letters · 44 citations
2019
- Highly Efficient Fullerene-Free Organic Solar Cells Operate at Near Zero Highest Occupied Molecular Orbital OffsetsJournal of the American Chemical Society · 436 citations
- Near‐Infrared Nonfullerene Acceptors Based on Benzobis(thiazole) Unit for Efficient Organic Solar Cells with Low Energy LossSmall Methods · 94 citations
- Non-fullerene Acceptors with a Thieno[3,4-c]pyrrole-4,6-dione (TPD) Core for Efficient Organic Solar CellsChinese Journal of Polymer Science · 74 citations
- Engineering the underlying surface to manipulate the growth of 2D perovskites for highly efficient solar cellsJournal of Materials Chemistry A · 66 citations
- Toward Highly Thermal Stable Perovskite Solar Cells by Rational Design of Interfacial LayeriScience · 63 citations
- Enhanced intramolecular charge transfer of unfused electron acceptors for efficient organic solar cellsMaterials Chemistry Frontiers · 60 citations
- Black Phosphorus Quantum Dots Induced High‐Quality Perovskite Film for Efficient and Thermally Stable Planar Perovskite Solar CellsSolar RRL · 59 citations
- Rh(III)-Catalyzed [3 + 3] Annulation Reaction of Cyclopropenones and Sulfoxonium Ylides toward Trisubstituted 2-PyronesThe Journal of Organic Chemistry · 53 citations
- Highly efficient and thermal stable guanidinium-based two-dimensional perovskite solar cells via partial substitution with hydrophobic ammoniumScience China Chemistry · 43 citations
- Black phosphorus nanoflakes as morphology modifier for efficient fullerene-free organic solar cells with high fill-factor and better morphological stabilityNano Research · 42 citations
2018
- Orientation Regulation of Phenylethylammonium Cation Based 2D Perovskite Solar Cell with Efficiency Higher Than 11%Advanced Energy Materials · 393 citations
- Plasmon-Enhanced Catalysis: Distinguishing Thermal and Nonthermal EffectsNano Letters · 361 citations
- Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural NetworksJournal of Chemical Theory and Computation · 166 citations
- Highly Efficient Sn/Pb Binary Perovskite Solar Cell via Precursor Engineering: A Two‐Step Fabrication ProcessAdvanced Functional Materials · 161 citations
- Construction of Transparent Cellulose-Based Nanocomposite Papers and Potential Application in Flexible Solar CellsACS Sustainable Chemistry & Engineering · 107 citations
- Describing strong correlation with fractional-spin correction in density functional theoryProceedings of the National Academy of Sciences · 80 citations
- Perovskite/Organic Bulk‐Heterojunction Integrated Ultrasensitive Broadband Photodetectors with High Near‐Infrared External Quantum Efficiency over 70%Small · 79 citations
- Force Field for Water Based on Neural NetworkThe Journal of Physical Chemistry Letters · 61 citations
- Low-bandgap mixed tin–lead iodide perovskite with large grains for high performance solar cellsJournal of Materials Chemistry A · 58 citations
- Interfacial engineering enables high efficiency with a high open-circuit voltage above 1.23 V in 2D perovskite solar cellsJournal of Materials Chemistry A · 46 citations
- Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning ModelsThe Journal of Physical Chemistry B · 41 citations
- Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn–Sham CalculationsThe Journal of Physical Chemistry A · 39 citations
2017
- Understanding band gaps of solids in generalized Kohn–Sham theoryProceedings of the National Academy of Sciences · 621 citations
Research in numbers
From OpenAlex- article195
- review2
- letter1
- book chapter1
- erratum1
- The Journal of Chemical Physics70
- Journal of the American Chemical Society18
- Physical Review Letters12
- Journal of Chemical Theory and Computation9
- The Journal of Physical Chemistry A8
- Aron J. Cohen21
- Hongzheng Chen21
- Paula Mori‐Sánchez20
- San-Huang Ke14
- Harold U. Baranger14
Experience and education
Universities
2025Xidian University
2022 to 2023Central South University
1984 to 2021University of North Carolina at Chapel Hill
2010Brigham Young University
2010University of California, Merced
2008Seoul National University
2000 to 2003University of Science and Technology of China
Industry and labs
2009City Of Hope National Medical Center
2003Howard Hughes Medical Institute
1988 to 1989Lawrence Berkeley National Laboratory