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J

John P. Perdew

Tulane University

113H-index
552Paper Count
41.9WCitation Count
Published Papers 161
Publication Date
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Local Spin Density Approximation Strongly Improved by a Better-Informed Local Scaling of Its Self-Interaction Correction
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-29
err0
errOAAI
errChandra Shahi; Rohan Maniar; Jinliang Ning; Raj K. Sah; Mark R. Pederson; Adrienn Ruzsinszky; Juan E. Peralta; Koblar A. Jackson; John P. Perdew
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ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals
errThe Journal of Physical Chemistry A
IF2.8
err2025-11-13
err0
PREAI
errEthan Pollack; Rohan Maniar; John P. Perdew
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Atomic ionization: sd energy imbalance and Perdew-Zunger self-interaction correction energy penalty in 3d atoms
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2025-03-07
err0
errOAAI
errManiar, Rohan; Shukla, Priyanka B.; Johnson, J. Karl; Jackson, Koblar A.; Perdew, John P.
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errSave
Comparison of meta-GGAs, DFT plus U corrections, and hybrid functionals for polaronic point defects in layered MnO2, NiO2, and KCoO2
errPHYSICAL REVIEW B
IF3.7
err2024-11-20
err0
PREAI
errSah, Raj K.; Zdilla, Michael J.; Borguet, Eric; Perdew, John P.
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errSave
Effect of strain on the band gap of monolayer MoS2
errPHYSICAL REVIEW B
IF3.7
err2024-10-21
err4
PREAI
errSah, Raj K.; Tang, Hong; Shahi, Chandra; Ruzsinszky, Adrienn; Perdew, John P.
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errSave
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-28
err6
PREAI
errKaplan, Aaron D.; Shahi, Chandra; Sah, Raj K.; Bhetwal, Pradeep; Kanungo, Bikash; Gavini, Vikram; Perdew, John P.
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Symmetry breaking and self-interaction correction in the chromium atom and dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-08
err6
errOAAI
errManiar, Rohan; Withanage, Kushantha P. K.; Shahi, Chandra; Kaplan, Aaron D.; Perdew, John P.; Pederson, Mark R.
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Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-01
err6
errOAAI
errZhang, Yubo; Ke, Da; Wu, Junxiong; Zhang, Chutong; Hou, Lin; Lin, Baichen; Chen, Zuhuang; Perdew, John; Sun, Jianwei
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Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-09
err3
errOAAI
errNing, Jinliang; Lane, Christopher; Barbiellini, Bernardo; Markiewicz, Robert S.; Bansil, Arun; Ruzsinszky, Adrienn; Perdew, John P.; Sun, Jianwei
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errSave
My life in science: Lessons for yours?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-05
err3
errOAAI
errPerdew, John P.
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errSave
Predicting the properties of NiO with density functional theory: Impact of exchange and correlation approximations and validation of the r2SCAN functional
errAPL MATERIALS
IF4.5
err2023-06-20
err7
errOAAI
errDelloStritto, Mark J.; Kaplan, Aaron D.; Perdew, John P.; Klein, Michael L.
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The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2023-04-24
err35
errOAAI
errKaplan, Aaron D.; Levy, Mel; Perdew, John P.
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errSave
Understanding Density-Driven Errors for Reaction Barrier Heights
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-04
err18
errOAAI
errKaplan, Aaron D.; Shahi, Chandra; Bhetwal, Pradeep; Sah, Raj K.; Perdew, John P.
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errSave
Incorporation of density scaling constraint in density functional design via contrastive representation learning
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err2
errOAAI
errGong, Weiyi; Sun, Tao; Bai, Hexin; Chowdhury, Shah Tanvir ur Rahman; Chu, Peng; Aryal, Anoj; Yu, Jie; Ling, Haibin; Perdew, John P.; Yan, Qimin
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Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction br
erracs nanoscience au
IF6.5
err2022-11-09
err22
errOAAI
errKothakonda, Manish; Kaplan, Aaron D.; Isaacs, Eric B.; Bartel, Christopher J.; Furness, James W.; Ning, Jinliang; Wolverton, Chris; Perdew, John P.; Sun, Jianwei
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errSave
Laplacian-level meta-generalized gradient approximation for solid and liquid metals
errPHYSICAL REVIEW MATERIALS
IF3.4
err2022-08-24
err19
errOAAI
errKaplan, Aaron D.; Perdew, John P.
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errSave
Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r2SCAN+rVV10
errPHYSICAL REVIEW B
IF3.7
err2022-08-23
err47
errOAAI
errNing, Jinliang; Kothakonda, Manish; Furness, James W.; Kaplan, Aaron D.; Ehlert, Sebastian; Brandenburg, Jan Gerit; Perdew, John P.; Sun, Jianwei
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errSave
How Good Is the Density-Corrected SCAN Functional for Neutral and Ionic Aqueous Systems, and What Is So Right about the Hartree- Fock Density?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-04
err31
PREAI
errDasgupta, Saswata; Shahi, Chandra; Bhetwal, Pradeep; Perdew, John P.; Paesani, Francesco
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Fermi-Lowdin orbital self-interaction correction of adsorption energies on transition metal ions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-01
err3
errOAAI
errWithanage, Kushantha P. K.; Sharkas, Kamal; Johnson, J. Karl; Perdew, John P.; Peralta, Juan E.; Jackson, Koblar A.
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Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-19
err36
errOAAI
errFurness, James W.; Kaplan, Aaron D.; Ning, Jinliang; Perdew, John P.; Sun, Jianwei
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errSave

Research Directions

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Co-authors
Cooperation Journals
G
Gerbrand Ceder
H-index: 166 · Papers: 1.1K
S
Stefan Grimme
H-index: 136 · Papers: 1.5K
M
Matthias Scheffler
H-index: 133 · Papers: 1.0K
G
Georg Kresse
H-index: 128 · Papers: 503
G
Gustavo E. Scuseria
H-index: 125 · Papers: 748
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