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 | 100 | 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 | 30 | 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 | 18 | 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 | 8 | 2023 |
Nonempirical prediction of the length-dependent ionization potential in molecular chains G Ohad, M Hartstein, T Gould, JB Neaton, L Kronik Journal of Chemical Theory and Computation 20 (16), 7168-7175, 2024 | 3 | 2024 |
Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened range-separated hybrid functional M Camarasa-Gómez, SE Gant, G Ohad, JB Neaton, A Ramasubramaniam, ... npj Computational Materials 10 (1), 288, 2024 | 2 | 2024 |
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 Physical Review Materials 8 (10), 105401, 2024 | 1 | 2024 |
Predicting the Color Polymorphism of ROY from a Time-Dependent Optimally Tuned Screened Range-Separated Hybrid Functional M Hartstein, G Ohad, L Kronik Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |
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 |
Resolving Contradictory Estimates of Band Gaps of Bulk PdSe: A Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Density Functional … F Florio, M Camarasa-Gómez, G Ohad, D Naveh, L Kronik, ... arXiv preprint arXiv:2501.15334, 2025 | | 2025 |
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 |
Role of localization in optimal tuning: From monomers to polymers. G Ohad, M Hartstein, T Gould, J Neaton, L Kronik 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 |
Predicting the color polymorphism of ROY using optimally-tuned screened range-separated hybrid functionals M Hartstein, G Ohad, L Kronik 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 |
Supplementary information to: 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 Proc. Natl. Acad. Sci. USA xxx, xxx, 121-127, 2021 | | 2021 |