| Stretched or noded orbital densities and self-interaction correction in density functional theory C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ... The Journal of Chemical Physics 150 (17), 2019 | 67 | 2019 |
| Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations B Neupane, H Tang, NK Nepal, S Adhikari, A Ruzsinszky Physical Review Materials 5 (6), 063803, 2021 | 31 | 2021 |
| Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies NK Nepal, S Adhikari, B Neupane, A Ruzsinszky Physical Review B 102 (20), 205121, 2020 | 20 | 2020 |
| The Fermi–Löwdin self-interaction correction for ionization energies of organic molecules S Adhikari, B Santra, S Ruan, P Bhattarai, NK Nepal, KA Jackson, ... The Journal of Chemical Physics 153 (18), 2020 | 20 | 2020 |
| Molecule-surface interaction from van der Waals-corrected semilocal density functionals: The example of thiophene on transition-metal surfaces S Adhikari, H Tang, B Neupane, A Ruzsinszky, GI Csonka Physical Review Materials 4 (2), 025005, 2020 | 19 | 2020 |
| Treating different bonding situations: Revisiting Au-Cu alloys using the random phase approximation NK Nepal, S Adhikari, JE Bates, A Ruzsinszky Physical Review B 100 (4), 045135, 2019 | 16 | 2019 |
| Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method CM Diaz, L Basurto, S Adhikari, Y Yamamoto, A Ruzsinszky, T Baruah, ... The Journal of Chemical Physics 155 (6), 2021 | 11 | 2021 |
| Accurate Prediction of HSE06 Band Structures for a Diverse Set of Materials Using Δ-Learning S Adhikari, J Clary, R Sundararaman, C Musgrave, D Vigil-Fowler, ... Chemistry of Materials 35 (20), 8397-8405, 2023 | 10 | 2023 |
| Understanding plasmon dispersion in nearly free electron metals: Relevance of exact constraints for exchange-correlation kernels within time-dependent density functional theory NK Nepal, S Adhikari, B Neupane, S Ruan, S Neupane, A Ruzsinszky Physical Review B 101 (19), 195137, 2020 | 9 | 2020 |
| Highly selective zinc ion removal by the synergism of functional groups and defects from N, S co-doped biochar C Wang, S Adhikari, Y Li, M Wen, Y Wang Separation and Purification Technology 354, 129446, 2025 | 6 | 2025 |
| Describing adsorption of benzene, thiophene, and xenon on coinage metals by using the Zaremba–Kohn theory-based model S Adhikari, NK Nepal, H Tang, A Ruzsinszky The Journal of Chemical Physics 154 (12), 2021 | 6 | 2021 |
| Structure and Piezoelectricity Due to B Site Cation Variation in ABn+Cln+2 Hybrid Histammonium Chlorometallate Materials M Wells, J Hempel, S Adhikari, Q Wang, D Allen, A Costello, C Bowen, ... Inorganic Chemistry 61 (44), 17746-17758, 2022 | 4 | 2022 |
| Interpretable machine learning to understand the performance of semi local density functionals for materials thermochemistry S Adhikari, CJ Bartel, C Sutton arXiv preprint arXiv:2307.07609, 2023 | 2 | 2023 |
| Uncertainty quantification and propagation in atomistic machine learning J Dai, S Adhikari, M Wen Reviews in Chemical Engineering, 2024 | 1 | 2024 |
| Cartesian Atomic Moment Machine Learning Interatomic Potentials M Wen, WF Huang, J Dai, S Adhikari arXiv preprint arXiv:2411.12096, 2024 | | 2024 |
| Optoelectronic properties of bent two-dimensional materials from first-principles methods combined with machine learning A Ruzsinszky, H Tang, S Neupane, L Yin, Q Yan, J Breslin, N Nepal, ... | | 2024 |
| Leveraging Domain Adaptation for Accurate Machine Learning Predictions of New Halide Perovskites DD Gupta, ZJL Bare, S Yew, S Adhikari, B DeCost, Q Zhang, C Musgrave, ... arXiv preprint arXiv:2401.10998, 2024 | | 2024 |
| Dispersion and Self-Interaction Correction: Improving the Accuracy of Semilocal Density Functional Approximations S Adhikari Temple University, 2021 | | 2021 |
| Dissociation limit and the scaled-down self-interaction correction S Adhikari, B Santra, K Withanage, K Jackson, A Ruzsinszky APS March Meeting Abstracts 2021, C19. 002, 2021 | | 2021 |
| Plasmon dispersion and the role of the exact constraints on exchange-correlation kernels within time-dependent density functional theory A Ruzsinszky, B Neupane, S Ruan, S Adhikari, S Neupane, N Nepal Bulletin of the American Physical Society 65, 2020 | | 2020 |
