| Evidence of Large Polarons in Photoemission Band Mapping of the Perovskite Semiconductor M Puppin, S Polishchuk, N Colonna, A Crepaldi, DN Dirin, O Nazarenko, ... Physical review letters 124 (20), 206402, 2020 | 99 | 2020 |
| PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of … MB Nardelli, FT Cerasoli, M Costa, S Curtarolo, R De Gennaro, M Fornari, ... Computational Materials Science 143, 462-472, 2018 | 95 | 2018 |
| Improved electronic structure and magnetic exchange interactions in transition metal oxides P Gopal, R De Gennaro, MS dos Santos Gusmao, RAR Al Orabi, H Wang, ... Journal of Physics: Condensed Matter 29 (44), 444003, 2017 | 42 | 2017 |
| The AFLOW fleet for materials discovery C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ... Handbook of Materials Modeling: Methods: Theory and Modeling, 1785-1812, 2020 | 34 | 2020 |
| Koopmans spectral functionals in periodic boundary conditions N Colonna, R De Gennaro, E Linscott, N Marzari Journal of Chemical Theory and Computation 18 (9), 5435-5448, 2022 | 16 | 2022 |
| Bloch's theorem in orbital-density-dependent functionals: Band structures from Koopmans spectral functionals R De Gennaro, N Colonna, E Linscott, N Marzari Physical Review B 106 (3), 035106, 2022 | 14 | 2022 |
| koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals EB Linscott, N Colonna, R De Gennaro, NL Nguyen, G Borghi, A Ferretti, ... Journal of Chemical Theory and Computation 19 (20), 7097-7111, 2023 | 11 | 2023 |
| Koopmans' spectral functionals: an open-source periodic-boundary implementation N Colonna, R De Gennaro, E Linscott, N Marzari APS March Meeting Abstracts 2021, A20. 002, 2021 | 1 | 2021 |
| PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the Projections of electronic wavefunctions on Atomic Orbital bases (PAO), including characterization … F Cerasoli, M Buongiorno Nardelli, M Costa, S Curtarolo, R De Gennaro, ... APS March Meeting Abstracts 2018, P12. 004, 2018 | 1 | 2018 |
| Accurate defect levels in semiconductors and insulators from Koopmans spectral functionals R De Gennaro, N Colonna, N Marzari APS March Meeting Abstracts 2023, A59. 013, 2023 | | 2023 |
| Spectral properties of extended systems from Koopmans-compliant functionals R De Gennaro EPFL, 2022 | | 2022 |
| Defect levels in doped silicon using Koopmans spectral functionals R De Gennaro, N Marzari, N Colonna, E Linscott APS March Meeting Abstracts 2022, A48. 011, 2022 | | 2022 |
| Accurately predicting electron affinities with Koopmans spectral functionals E Linscott, N Colonna, R De Gennaro, N Marzari APS March Meeting Abstracts 2021, R19. 003, 2021 | | 2021 |
| Band structure of semiconductors and insulators from Koopmans-compliant functionals R De Gennaro, N Colonna, N Marzari APS March Meeting Abstracts 2021, M22. 004, 2021 | | 2021 |
