| 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 | 624 | 2020 |
| An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors JW Furness, Y Zhang, C Lane, IG Buda, B Barbiellini, RS Markiewicz, ... Communications Physics 1 (1), 11, 2018 | 141 | 2018 |
| Antiferromagnetic ground state of : A parameter-free ab initio description C Lane, JW Furness, IG Buda, Y Zhang, RS Markiewicz, B Barbiellini, ... Physical Review B 98 (12), 125140, 2018 | 116 | 2018 |
| 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 | 108 | 2021 |
| Competing stripe and magnetic phases in the cuprates from first principles Y Zhang, C Lane, JW Furness, B Barbiellini, JP Perdew, RS Markiewicz, ... Proceedings of the National Academy of Sciences 117 (1), 68-72, 2020 | 104 | 2020 |
| Current density functional theory using meta-generalized gradient exchange-correlation functionals JW Furness, J Verbeke, EI Tellgren, S Stopkowicz, U Ekström, ... Journal of chemical theory and computation 11 (9), 4169-4181, 2015 | 90 | 2015 |
| Non-perturbative calculation of molecular magnetic properties within current-density functional theory EI Tellgren, AM Teale, JW Furness, KK Lange, U Ekström, T Helgaker The Journal of chemical physics 140 (3), 2014 | 89 | 2014 |
| Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic U Y Zhang, J Furness, R Zhang, Z Wang, A Zunger, J Sun Physical Review B 102 (4), 045112, 2020 | 68 | 2020 |
| Enhancing the efficiency of density functionals with an improved iso-orbital indicator JW Furness, J Sun Physical Review B 99 (4), 041119, 2019 | 55 | 2019 |
| Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error Y Zhang, JW Furness, B Xiao, J Sun The Journal of chemical physics 150 (1), 2019 | 46 | 2019 |
| 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 | 45 | 2022 |
| 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 | 44 | 2022 |
| First-principles calculation of spin and orbital contributions to magnetically ordered moments in C Lane, Y Zhang, JW Furness, RS Markiewicz, B Barbiellini, J Sun, ... Physical Review B 101 (15), 155110, 2020 | 41 | 2020 |
| 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 | 25 | 2022 |
| Reliable lattice dynamics from an efficient density functional approximation J Ning, JW Furness, J Sun Chemistry of Materials 34 (6), 2562-2568, 2022 | 24 | 2022 |
| Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations K Pokharel, C Lane, JW Furness, R Zhang, J Ning, B Barbiellini, ... npj Computational Materials 8 (1), 31, 2022 | 23 | 2022 |
| Self-consistent field methods for excited states in strong magnetic fields: A comparison between energy-and variance-based approaches G David, TJP Irons, AEA Fouda, JW Furness, AM Teale Journal of Chemical Theory and Computation 17 (9), 5492-5508, 2021 | 20 | 2021 |
| Density functional theory J Sun, JW Furness, Y Zhang Mathematical Physics in Theoretical Chemistry, 119-159, 2019 | 18 | 2019 |
| Electron localisation function in current-density-functional theory JW Furness, U Ekström, T Helgaker, AM Teale Molecular Physics 114 (7-8), 1415-1422, 2016 | 18 | 2016 |
| Tunable catalytic activity of cobalt-intercalated layered MnO2 for water oxidation through confinement and local ordering J Ning, JW Furness, Y Zhang, AC Thenuwara, RC Remsing, ML Klein, ... Journal of Catalysis 374, 143-149, 2019 | 15 | 2019 |