Jianwei Sun

1. Strongly Constrained and Appropriately Normed Semilocal Density Functional
   2015/04/12 by Jianwei Sun, Adrienn Ruzsinszky, Sun, Jianwei +3 · 50 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci)
2. Density functional theory is straying from the path toward the exact functional
   2017/01/05 by Michael G. Medvedev, Иван С. Бушмаринов, Ivan S. Bushmarinov +4 · 45 citations
   Physics and Astronomy · Chemical Engineering · Engineering · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Molecular Junctions and Nanostructures
3. Accurate and numerically efficient r²SCAN meta-generalized gradient approximation
   2020/08/07 by James W. Furness, Furness, James W., Aaron D. Kaplan +7 · 23 citations
   Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #NMR spectroscopy and applications #Seismic Imaging and Inversion Techniques
4. Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation
   2020/09/02 by James W. Furness, Aaron D. Kaplan, Jinliang Ning +2 · 21 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Machine Learning in Materials Science
5. 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 · 13 citations
   Chemical Engineering · Materials Science · Physics and Astronomy · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Advanced Chemical Physics Studies
6. Testing the r²SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction
   2022/08/04 by Manish Kothakonda, Kothakonda, Manish, Aaron D. Kaplan +15 · 8 citations
   Earth and Planetary Sciences · Engineering · #Advanced Materials Characterization Techniques #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Intermetallics and Advanced Alloy Properties #Materials Science (cond-mat.mtrl-sci) #nanoparticles nucleation surface interactions
7. Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
   2009/06/27 by John P. Perdew, Adrienn Ruzsinszky, Perdew, John P. +7 · 3 citations
   Chemistry · #FOS: Physical sciences #History and advancements in chemistry #Materials Science (cond-mat.mtrl-sci)
8. Dial-insight: Fine-tuning Large Language Models with High-Quality Domain-Specific Data Preventing Capability Collapse
   2024/03/14 by Jianwei Sun, Chaoyang Mei, Sun, Jianwei +11 · 2 citations
   Computer Science · #Computation and Language (cs.CL) #FOS: Computer and information sciences #Natural Language Processing Techniques #Topic Modeling
9. Accurate Electron-phonon Interactions from Advanced Density Functional Theory
   2024/11/12 by Yanyong Wang, Wang, Yanyong, Manuel Engel +21 · 3 citations
   Chemistry · Materials Science · #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el) #Superconductivity (cond-mat.supr-con) #Thermal Expansion and Ionic Conductivity #Thermal properties of materials
10. Challenges for density functional theory in simulating metal-metal singlet bonding: a case study of dimerized VO2
    2023/10/09 by Yubo Zhang, Da Ke, Zhang, Yubo +13 · 2 citations
    Materials Science · Chemical Engineering · #Transition Metal Oxide Nanomaterials #Ga2O3 and related materials #Catalysis and Oxidation Reactions
11. Magnetism-Enhanced Strong Electron-Phonon Coupling in Infinite-Layer Nickelate
    2025/04/17 by Ruiqi Zhang, Zhang, Ruiqi, Yanyong Wang +26 · 2 citations
    Materials Science · Physics and Astronomy · #Magnetic and transport properties of perovskites and related materials #Physics of Superconductivity and Magnetism #Iron-based superconductors research
12. Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model
    2025/03/11 by Yufan Chen, Chen, Yufan, Ching Ting Leung +11 · 1 citation
    Computer Science · #Advanced Text Analysis Techniques #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Text and Document Classification Technologies #Topic Modeling