Band gaps of crystalline solids from Wannier-localization–based optimal tuning of a screened range-separated hybrid functional D Wing, G Ohad, JB Haber, MR Filip, SE Gant, JB Neaton, L Kronik Proceedings of the National Academy of Sciences 118 (34), e2104556118, 2021 | 90 | 2021 |
Optimally tuned starting point for single-shot calculations of solids SE Gant, JB Haber, MR Filip, F Sagredo, D Wing, G Ohad, L Kronik, ... Physical review materials 6 (5), 053802, 2022 | 27 | 2022 |
Band gaps of halide perovskites from a Wannier-localized optimally tuned screened range-separated hybrid functional G Ohad, D Wing, SE Gant, AV Cohen, JB Haber, F Sagredo, MR Filip, ... Physical review materials 6 (10), 104606, 2022 | 16 | 2022 |
Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals G Ohad, SE Gant, D Wing, JB Haber, M Camarasa-Gómez, F Sagredo, ... Physical Review Materials 7 (12), 123803, 2023 | 6 | 2023 |
Electronic and Optical Excitations in van der Waals Materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional M Camarasa-Gómez, SE Gant, G Ohad, JB Neaton, A Ramasubramanian, ... arXiv preprint arXiv:2405.00643, 2024 | 1 | 2024 |
Tunable tunnel barriers in a semiconductor via ionization of individual atoms SM Mueller, D Kim, SR McMillan, SJ Tjung, JJ Repicky, S Gant, E Lang, ... Journal of Physics: Condensed Matter 33 (27), 275002, 2021 | 1 | 2021 |
Electronic structure and optical properties of halide double perovskites from a Wannier-localized optimally-tuned screened range-separated hybrid functional F Sagredo, SE Gant, G Ohad, JB Haber, MR Filip, L Kronik, JB Neaton arXiv preprint arXiv:2408.04115, 2024 | | 2024 |
Non-empirical prediction of electronic and optical properties of van der Waals materials from a Wannier-localized Optimally Tuned Screened Range-Separated Hybrid functional M Camarasa Gomez, S Gant, G Ohad, J Neaton, A Ramasubramaniam, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Accurate defect electronic structure from non-empirical range-separated hybrid functionals: the case of oxygen vacancies in ZnO S Ke, S Gant, L Kronik, J Neaton Bulletin of the American Physical Society, 2024 | | 2024 |
Ab initio GW-Bethe-Salpeter Equation Approach using Optimally Tuned Range-Separated Hybrid Functionals and Non-Uniform Reciprocal Space Sampling S Gant, A Alvertis, G Ohad, M Filip, Z Li, L Kronik, J Neaton Bulletin of the American Physical Society, 2024 | | 2024 |
Automated Workflow for High-Throughput Calculations of Band Gaps with a Wannier-localized Optimally-Tuned Screened Range-Separated Hybrid Functional F Ricci, S Gant, F Sagredo, S Ke, G Ohad, L Kronik, J Neaton Bulletin of the American Physical Society, 2024 | | 2024 |
Accurate band gaps and optical spectra of halides and oxides from a non-empirical, localization based optimal tuning of a screened range-separated hybrid functional G Ohad, S Gant, D Wing, J Haber, M Camarasa Gomez, A Cohen, ... APS March Meeting Abstracts 2023, Q59. 005, 2023 | | 2023 |
Electron-phonon Renormalization of the Band Gaps of Solids from Wannier-localized Optimally Tuned Screened Range-Separated Hybrid Functionals S Gant, G Ohad, F Ricci, M Camarasa Gomez, J Haber, L Kronik, ... APS March Meeting Abstracts 2023, G61. 002, 2023 | | 2023 |
Quasiparticle band structures of halide double perovskites using Wannier-localized optimally tuned screened range separated hybrid functionals F Sagredo, S Gant, G Ohad, J Haber, M Filip, L Kronik, J Neaton APS March Meeting Abstracts 2023, A17. 008, 2023 | | 2023 |
Electronic properties of crystalline solids from Wannier-localization-based optimal tuning of a screened range-separated hybrid functional G Ohad, D Wing, M Fillip, A Cohen, J Haber, S Gant, F Sagredo, J Neaton, ... APS March Meeting Abstracts 2022, G46. 012, 2022 | | 2022 |
Optimally-Tuned Range-Separated Hybrid Functional Starting Points for One-Shot GW Calculations S Gant, J Haber, D Wing, G Ohad, L Kronik, M Filip, J Neaton APS March Meeting Abstracts 2021, R22. 010, 2021 | | 2021 |
Combined DFT & STM Study of Fe/Ir (111) Surface States S Gant, J Repicky, R Kawakami, J Gupta APS March Meeting Abstracts 2019, R19. 007, 2019 | | 2019 |