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
92 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
92 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
40 2017 The AFLOW fleet for materials discovery C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ...
arXiv preprint arXiv:1712.00422, 2017
31 2017 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
14 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 FunctionalsEB Linscott, N Colonna, R De Gennaro, NL Nguyen, G Borghi, A Ferretti, ...
Journal of Chemical Theory and Computation 19 (20), 7097-7111, 2023
8 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