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 Long-lived correlated triplet pairs in a π-stacked crystalline pentacene derivative BD Folie, JB Haber, S Refaely-Abramson, JB Neaton, NS Ginsberg
Journal of the American Chemical Society 140 (6), 2326-2335, 2018
96 2018 Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the D Wing, JB Haber, R Noff, B Barker, DA Egger, A Ramasubramaniam, ...
Physical Review Materials 3 (6), 064603, 2019
84 2019 Phonon screening of excitons in semiconductors: halide perovskites and beyond MR Filip, JB Haber, JB Neaton
Physical review letters 127 (6), 067401, 2021
69 2021 Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer A Sood, JB Haber, J Carlström, EA Peterson, E Barre, JD Georgaras, ...
Nature Nanotechnology 18 (1), 29-35, 2023
33 2023 Optimally tuned starting point for single-shot SE Gant, JB Haber, MR Filip, F Sagredo, D Wing, G Ohad, L Kronik, ...
Physical review materials 6 (5), 053802, 2022
30 2022 Spin-dependent vibronic response of a carbon radical ion in two-dimensional WS2 KA Cochrane, JH Lee, C Kastl, JB Haber, T Zhang, A Kozhakhmetov, ...
Nature communications 12 (1), 7287, 2021
30 2021 Exciton Lifetime and Optical Line Width Profile via Exciton–Phonon Interactions: Theory and First-Principles Calculations for Monolayer MoS2 Y Chan, JB Haber, MH Naik, JB Neaton, DY Qiu, FH da Jornada, ...
Nano Letters 23 (9), 3971-3977, 2023
29 2023 Phonon-induced localization of excitons in molecular crystals from first principles AM Alvertis, JB Haber, EA Engel, S Sharifzadeh, JB Neaton
Physical Review Letters 130 (8), 086401, 2023
29 2023 Rydberg Excitons and Trions in Monolayer MoTe2 S Biswas, A Champagne, JB Haber, S Pokawanvit, J Wong, H Akbari, ...
ACS nano 17 (8), 7685-7694, 2023
25 2023 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 Temperature-dependent radiation sensitivity and order of 70S ribosome crystals M Warkentin, JB Hopkins, JB Haber, G Blaha, RE Thorne
Acta Crystallographica Section D: Biological Crystallography 70 (11), 2890-2896, 2014
17 2014 Quasiparticle and Optical Properties of Carrier-Doped Monolayer MoTe2 from First Principles A Champagne, JB Haber, S Pokawanvit, DY Qiu, S Biswas, HA Atwater, ...
Nano Letters 23 (10), 4274-4281, 2023
14 2023 Phonon-driven femtosecond dynamics of excitons in crystalline pentacene from first principles G Cohen, JB Haber, JB Neaton, DY Qiu, S Refaely-Abramson
Physical review letters 132 (12), 126902, 2024
12 2024 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 Phonon screening and dissociation of excitons at finite temperatures from first principles AM Alvertis, JB Haber, Z Li, CJN Coveney, SG Louie, MR Filip, JB Neaton
Proceedings of the National Academy of Sciences 121 (30), e2403434121, 2024
7 2024 Maximally localized exciton Wannier functions for solids JB Haber, DY Qiu, FH da Jornada, JB Neaton
Physical Review B 108 (12), 125118, 2023
7 2023 Superexchange-induced valley splitting in two-dimensional transition metal dichalcogenides: A first-principles study for rational design EA Peterson, JB Haber, JB Neaton
Physical Review B 104 (20), 205421, 2021
6 2021 Exciton–Phonon Coupling Induces a New Pathway for Ultrafast Intralayer-to-Interlayer Exciton Transition and Interlayer Charge Transfer in WS2–MoS2 Heterostructure: A First … Y Chan, MH Naik, JB Haber, JB Neaton, SG Louie, DY Qiu, ...
Nano Letters, 2024
4 2024 First-principles studies of the electronic and optical properties of halide perovskites: from three to two dimensions M Filip, J Haber, J Neaton
APS March Meeting Abstracts 2019, X20. 006, 2019
2 2019 