John P. Perdew
Temple University
H-index: 123
North America-United States
Top articles of John P. Perdew
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
How does HF-DFT achieve chemical accuracy for water clusters? | Aaron Kaplan Chandra Shahi Raj Sah Pradeep Bhetwal Bikash Kanungo | 2024/4/26 | |
Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6 | The Journal of Chemical Physics | Jinliang Ning Christopher Lane Bernardo Barbiellini Robert S Markiewicz Arun Bansil | 2024/2/14 |
Meta-GGAs vs. Hybrid Functionals for Point Defects: The Best of Both Worlds Applied to Layered MnO, NiO and KCoO | arXiv preprint arXiv:2404.14317 | Raj K Sah Michael J Zdilla Eric Borguet John P Perdew | 2024/4/22 |
My life in science: Lessons for yours? | The Journal of Chemical Physics | John P Perdew | 2024/1/7 |
Symmetry breaking and self-interaction correction in the chromium atom and dimer | The Journal of Chemical Physics | Rohan Maniar Kushantha PK Withanage Chandra Shahi Aaron D Kaplan John P Perdew | 2024/4/14 |
Challenges for density functional theory in simulating metal–metal singlet bonding: A case study of dimerized VO2 | arXiv preprint arXiv:2310.05402 | Yubo Zhang Da Ke Junxiong Wu Chutong Zhang Baichen Lin | 2023/10/9 |
Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights | Bulletin of the American Physical Society | John P Perdew Bikash Kanungo Aaron Kaplan Chandra Shahi Vikram Gavini | 2024/3/4 |
Redox properties of transition metal oxides NiO2 and CoO2 from a defect perspective | Bulletin of the American Physical Society | Raj Sah Michael Zdilla Eric Borguet John P Perdew | 2024/3/4 |
Incorporation of density scaling constraint in density functional design via contrastive representation learning | Digital Discovery | Weiyi Gong Tao Sun Hexin Bai Peng Chu Anoj Aryal | 2023 |
Understanding density-driven errors for reaction barrier heights | Journal of Chemical Theory and Computation | Aaron D Kaplan Chandra Shahi Pradeep Bhetwal Raj K Sah John P Perdew | 2023/1/4 |
Modern Density Functionals Derived From First Principles | John P Perdew | 2023/1/1 | |
Revisiting the density-corrected SCAN calculations for neutral and aqueous systems | APS March Meeting Abstracts | Chandra Shahi Aaron Kaplan John P Perdew | 2023 |
Final Report on Energy Frontier Research Centers: Center for the Computational Design of Functional Layered Materials (CCDM) August 1, 2014-July 31, 2018; Center for Complex … | John P Perdew Arun Bansil Eric Borguet Linyou Cao Mikko Haataja | 2023/6/11 | |
Energetics of Transition Metal Molecules | APS March Meeting Abstracts | Rohan Maniar John P Perdew | 2023 |
Predicting the properties of NiO with density functional theory: Impact of exchange and correlation approximations and validation of the r2SCAN functional | APL Materials | Mark J DelloStritto Aaron D Kaplan John P Perdew Michael L Klein | 2023/6/1 |
Density corrected SCAN functional in water clusters | APS March Meeting Abstracts | Pradeep Bhetwal Saswata Dasgupta Chandra Shahi John Perdew Francesco Paesani | 2023 |
The predictive power of exact constraints and appropriate norms in density functional theory | Aaron D Kaplan Mel Levy John P Perdew | 2023/4/24 | |
Density-Corrected SCAN Meta-GGA | APS March Meeting Abstracts | John Perdew Francesco Paesani Saswata Dasgupta Eleftherios Lambros | 2022 |
First-principles wave-vector-and frequency-dependent exchange-correlation kernel for jellium at all densities | Physical Review B | Aaron D Kaplan Niraj K Nepal Adrienn Ruzsinszky Pietro Ballone John P Perdew | 2022/1/18 |
How good is the density-corrected SCAN functional for neutral and ionic aqueous systems, and what is so right about the Hartree–Fock density? | Journal of Chemical Theory and Computation | Saswata Dasgupta Chandra Shahi Pradeep Bhetwal John P Perdew Francesco Paesani | 2022/7/4 |
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