| Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun The journal of physical chemistry letters 11 (19), 8208-8215, 2020 | 797 | 2020 |
| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 166 | 2023 |
| r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications S Ehlert, U Huniar, J Ning, JW Furness, J Sun, AD Kaplan, JP Perdew, ... The Journal of Chemical Physics 154 (6), 2021 | 129 | 2021 |
| Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories JP Perdew, A Ruzsinszky, J Sun, NK Nepal, AD Kaplan Proceedings of the National Academy of Sciences 118 (4), e2017850118, 2021 | 83 | 2021 |
| Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: J Ning, M Kothakonda, JW Furness, AD Kaplan, S Ehlert, JG Brandenburg, ... Physical Review B 106 (7), 075422, 2022 | 64 | 2022 |
| The predictive power of exact constraints and appropriate norms in density functional theory AD Kaplan, M Levy, JP Perdew Annual Review of Physical Chemistry 74 (1), 193-218, 2023 | 53 | 2023 |
| Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun The Journal of Chemical Physics 156 (3), 2022 | 47 | 2022 |
| Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction M Kothakonda, AD Kaplan, EB Isaacs, CJ Bartel, JW Furness, J Ning, ... ACS Materials Au 3 (2), 102-111, 2022 | 34 | 2022 |
| Understanding density-driven errors for reaction barrier heights AD Kaplan, C Shahi, P Bhetwal, RK Sah, JP Perdew Journal of Chemical Theory and Computation 19 (2), 532-543, 2023 | 26 | 2023 |
| Laplacian-level meta-generalized gradient approximation for solid and liquid metals AD Kaplan, JP Perdew Physical Review Materials 6 (8), 083803, 2022 | 26 | 2022 |
| A foundation model for atomistic materials chemistry, 2024 I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 0 | 22 | |
| Symmetry breaking with the SCAN density functional describes strong correlation in the singlet carbon dimer JP Perdew, STUR Chowdhury, C Shahi, AD Kaplan, D Song, EJ Bylaska The Journal of Physical Chemistry A 127 (1), 384-389, 2022 | 18 | 2022 |
| First-principles wave-vector-and frequency-dependent exchange-correlation kernel for jellium at all densities AD Kaplan, NK Nepal, A Ruzsinszky, P Ballone, JP Perdew Physical Review B 105 (3), 035123, 2022 | 18 | 2022 |
| Collapse of the electron gas from three to two dimensions in Kohn-Sham density functional theory AD Kaplan, K Wagle, JP Perdew Physical Review B 98 (8), 085147, 2018 | 18 | 2018 |
| Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory AD Kaplan, B Santra, P Bhattarai, K Wagle, P Bhetwal, J Yu, H Tang, ... The Journal of chemical physics 153 (7), 2020 | 13 | 2020 |
| Unconventional error cancellation explains the success of Hartree–Fock density functional theory for barrier heights B Kanungo, AD Kaplan, C Shahi, V Gavini, JP Perdew The Journal of Physical Chemistry Letters 15 (1), 323-328, 2024 | 12 | 2024 |
| CPT invariance in classical electrodynamics AD Kaplan, TD Tsankov European Journal of Physics 38 (6), 065205, 2017 | 9 | 2017 |
| Calculation and interpretation of classical turning surfaces in solids AD Kaplan, SJ Clark, K Burke, JP Perdew npj Computational Materials 7 (1), 25, 2021 | 8 | 2021 |
| How does HF-DFT achieve chemical accuracy for water clusters? AD Kaplan, C Shahi, RK Sah, P Bhetwal, B Kanungo, V Gavini, ... Journal of Chemical Theory and Computation 20 (13), 5517-5527, 2024 | 6 | 2024 |
| Symmetry breaking and self-interaction correction in the chromium atom and dimer R Maniar, KPK Withanage, C Shahi, AD Kaplan, JP Perdew, ... The Journal of Chemical Physics 160 (14), 2024 | 6 | 2024 |