John P. Perdew | Scholar Profiles and Rankings

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF


Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals (journal article) Furness, James W. \| Kaplan, Aaron D. \| Ning, Jinliang \| Perdew, John P. \| Sun, Jianwei The Journal of Chemical Physics, volume 156, issue 3 (2022). 10.1063/5.0073623 Cited by (19) \| Cite \| Source
First-principles wave-vector- and frequency-dependent exchange-correlation kernel for jellium at all densities (journal article) Kaplan, Aaron D. \| Nepal, Niraj K. \| Ruzsinszky, Adrienn \| Ballone, Pietro \| Perdew, John P. Physical Review B, volume 105, issue 3 (2022). 10.1103/PhysRevB.105.035123 Cited by (5) \| Cite \| Source
Spherical vs non-spherical and symmetry-preserving vs symmetry-breaking densities of open-shell atoms in density functional theory (journal article) Chowdhury, Shah Tanvir ur Rahman \| Perdew, John P. The Journal of Chemical Physics, volume 155, issue 23 (2021). 10.1063/5.0072020 Cited by (3) \| Cite \| Source
Artificial intelligence “sees” split electrons (journal article) Perdew, John P. Science, volume 374, issue 6573, pages 1322-1323 (2021). 10.1126/science.abm2445 Cited by (8) \| Cite \| Source
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism (journal article) Dasgupta, Saswata \| Lambros, Eleftherios \| Perdew, John P. \| Paesani, Francesco Nature Communications, volume 12, issue 1 (2021). 10.1038/s41467-021-26618-9 Cited by (35) \| Cite \| Source
Reimagining the 1 Electronic State in Oxygen Evolution Catalysis: Oxidation‐State‐Modulated Superlattices as a New Type of Heterostructure for Maximizing Catalysis (journal article) Ding, Ran \| Yasini, Parisa \| Peng, Haowei \| Perdew, John P. \| Borguet, Eric \| Zdilla, Michael J. Advanced Energy Materials, volume 11, issue 41 (2021). 10.1002/aenm.202101636 Cited by (4) \| Cite \| Source
Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials (journal article) Zhang, Chunyi \| Tang, Fujie \| Chen, Mohan \| Xu, Jianhang \| Zhang, Linfeng \| Qiu, Diana Y. \| Perdew, John P. \| Klein, Michael L. \| Wu, Xifan The Journal of Physical Chemistry B, volume 125, issue 41, pages 11444-11456 (2021). 10.1021/acs.jpcb.1c03884 Cited by (32) \| Cite \| Source
Initial Fermi orbital descriptors for FLOSIC calculations: The quick-FOD method (journal article) Nguyen, Duyen B. \| Pederson, Mark R. \| Perdew, John P. \| Jackson, Koblar A. \| Peralta, Juan E. Chemical Physics Letters, volume 780 (2021). 10.1016/j.cplett.2021.138952 Cited by (3) \| Cite \| Source
van der Waals corrected density functionals for cylindrical surfaces: Ammonia and nitrogen dioxide adsorbed on a single-walled carbon nanotube (journal article) Chowdhury, Shah Tanvir ur Rahman \| Tang, Hong \| Perdew, John P. Physical Review B, volume 103, issue 19 (2021). 10.1103/PhysRevB.103.195410 Cited by (2) \| Cite \| Source
Self-interaction correction in water–ion clusters (journal article) Wagle, Kamal \| Santra, Biswajit \| Bhattarai, Puskar \| Shahi, Chandra \| Pederson, Mark R. \| Jackson, Koblar A. \| Perdew, John P. The Journal of Chemical Physics, volume 154, issue 9 (2021). 10.1063/5.0041620 Cited by (13) \| Cite \| Source
Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction (journal article) Bhattarai, Puskar \| Santra, Biswajit \| Wagle, Kamal \| Yamamoto, Yoh \| Zope, Rajendra R. \| Ruzsinszky, Adrienn \| Jackson, Koblar A. \| Perdew, John P. The Journal of Chemical Physics, volume 154, issue 9 (2021). 10.1063/5.0041646 Cited by (9) \| Cite \| Source
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications (journal article) Ehlert, Sebastian \| Huniar, Uwe \| Ning, Jinliang \| Furness, James W. \| Sun, Jianwei \| Kaplan, Aaron D. \| Perdew, John P. \| Brandenburg, Jan Gerit The Journal of Chemical Physics, volume 154, issue 6 (2021). 10.1063/5.0041008 Cited by (55) \| Cite \| Source
Calculation and interpretation of classical turning surfaces in solids (journal article) Kaplan, Aaron D. \| Clark, Stewart J. \| Burke, Kieron \| Perdew, John P. npj Computational Materials, volume 7, issue 1 (2021). 10.1038/s41524-020-00479-0 Cited by (4) \| Cite \| Source
Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories (journal article) Perdew, John P. \| Ruzsinszky, Adrienn \| Sun, Jianwei \| Nepal, Niraj K. \| Kaplan, Aaron D. Proceedings of the National Academy of Sciences, volume 118, issue 4 (2021). 10.1073/pnas.2017850118 Cited by (38) \| Cite \| Source
Density-related properties from self-interaction corrected density functional theory calculations (journal article) Withanage, Kushantha P. K. \| Bhattarai, Puskar \| Peralta, Juan E. \| Zope, Rajendra R. \| Baruah, Tunna \| Perdew, John P. \| Jackson, Koblar A. The Journal of Chemical Physics, volume 154, issue 2 (2021). 10.1063/5.0034545 Cited by (7) \| Cite \| Source
Accurate and Numerically Efficient r2 SCAN Meta-Generalized Gradient Approximation (journal article) Furness, James W. \| Kaplan, Aaron D. \| Ning, Jinliang \| Perdew, John P. \| Sun, Jianwei The Journal of Physical Chemistry Letters, volume 11, issue 19, pages 8208-8215 (2020). 10.1021/acs.jpclett.0c02405 Cited by (228) \| Cite \| Source
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory (journal article) Kaplan, Aaron D. \| Santra, Biswajit \| Bhattarai, Puskar \| Wagle, Kamal \| Chowdhury, Shah Tanvir ur Rahman \| Bhetwal, Pradeep \| Yu, Jie \| Tang, Hong \| Burke, Kieron \| Levy, Mel \| Perdew, John P. The Journal of Chemical Physics, volume 153, issue 7 (2020). 10.1063/5.0017805 Cited by (9) \| Cite \| Source
A step in the direction of resolving the paradox of Perdew–Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation (journal article) Bhattarai, Puskar \| Wagle, Kamal \| Shahi, Chandra \| Yamamoto, Yoh \| Romero, Selim \| Santra, Biswajit \| Zope, Rajendra R. \| Peralta, Juan E. \| Jackson, Koblar A. \| Perdew, John P. The Journal of Chemical Physics, volume 152, issue 21 (2020). 10.1063/5.0010375 Cited by (21) \| Cite \| Source
Constraint-based wave vector and frequency dependent exchange-correlation kernel of the uniform electron gas (journal article) Ruzsinszky, Adrienn \| Nepal, Niraj K. \| Pitarke, J. M. \| Perdew, John P. Physical Review B, volume 101, issue 24 (2020). 10.1103/PhysRevB.101.245135 Cited by (14) \| Cite \| Source
Self-interaction error overbinds water clusters but cancels in structural energy differences (journal article) Sharkas, Kamal \| Wagle, Kamal \| Santra, Biswajit \| Akter, Sharmin \| Zope, Rajendra R. \| Baruah, Tunna \| Jackson, Koblar A. \| Perdew, John P. \| Peralta, Juan E. Proceedings of the National Academy of Sciences, volume 117, issue 21, pages 11283-11288 (2020). 10.1073/pnas.1921258117 Cited by (52) \| Cite \| Source

Title	Investigators	Year	Expiration	Amount
Density Functional Theory of Electronic Structure	Perdew, John	04-15-2020	03-31-2023	$420,000
Density Functional Theory of Electronic Structure	Perdew, John	09-01-2016	08-31-2019	$440,202
Nonlocal Density Functional Theory of Molecules and Solids	Ruzsinszky, Adrienn \| Tao, Jianmin \| Perdew, John	06-01-2014	05-31-2016	$299,117
Density Functional Theory of Electronic Structure	Ruzsinszky, Adrienn \| Tao, Jianmin \| Perdew, John	09-01-2013	08-31-2016	$389,999
Density Functional Theory of Electronic Structure	Perdew, John	08-01-2009	07-31-2013	$460,000
Density Functional Theory of Electronic Structure	Perdew, John	06-15-2005	05-31-2009	$372,000
Density Functional Theory of Electronic Structure	Perdew, John	02-01-2002	01-31-2006	$312,000
Density Functional Theory of Electronic Structure	Perdew, John	07-01-1998	06-30-2002	$252,000
U.S.-Slovenian Materials Research: Solid State Tests of New Density Functionals	Perdew, John	03-15-1998	02-28-2003	$12,040
Density Functional Theory of Electronic Structure	Perdew, John	07-15-1995	06-30-1998	$230,000
Density Functional Theory of Electronic Structure	Perdew, John	08-01-1992	01-31-1996	$158,300
Density Functional Theory of Electronic Structure	Perdew, John	01-15-1989	06-30-1992	$97,380
Density Functional Theory for Electronic Ground and Excited States (Materials Research)	Perdew, John	05-01-1985	04-30-1989	$109,100
Improved Density Functionals and their Applications to Inhomogeneous Electron Systems (Materials Research)	Perdew, John	12-01-1980	05-31-1985	$74,500
Density Functional Theory of Metals and Metal Surfaces	Perdew, John	08-15-1978	01-31-1981	$29,492