Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
8124 2017 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
109 2020 Koopmans-compliant spectral functionals for extended systems NL Nguyen, N Colonna, A Ferretti, N Marzari
Physical Review X 8 (2), 021051, 2018
91 2018 Structural and magnetic properties of CaFe N Colonna, G Profeta, A Continenza, S Massidda
Physical Review B—Condensed Matter and Materials Physics 83 (9), 094529, 2011
63 2011 Ab initio self-consistent total-energy calculations within the EXX/RPA formalismNL Nguyen, N Colonna, S De Gironcoli
Physical Review B 90 (4), 045138, 2014
55 2014 Correlation energy within exact-exchange adiabatic connection fluctuation-dissipation theory: Systematic development and simple approximations N Colonna, M Hellgren, S de Gironcoli
Physical Review B 90 (12), 125150, 2014
54 2014 Quantifying photoinduced polaronic distortions in inorganic lead halide perovskite nanocrystals O Cannelli, N Colonna, M Puppin, TC Rossi, D Kinschel, LMD Leroy, ...
Journal of the American Chemical Society 143 (24), 9048-9059, 2021
50 2021 Koopmans-compliant functionals and potentials and their application to the GW100 test set N Colonna, NL Nguyen, A Ferretti, N Marzari
Journal of chemical theory and computation 15 (3), 1905-1914, 2019
45 2019 Beyond the random phase approximation with a local exchange vertex M Hellgren, N Colonna, S De Gironcoli
Physical Review B 98 (4), 045117, 2018
45 2018 Koopmans Meets Bethe–Salpeter: Excitonic Optical Spectra without GW JD Elliott, N Colonna, M Marsili, N Marzari, P Umari
Journal of chemical theory and computation 15 (6), 3710-3720, 2019
31 2019 Molecular bonding with the RPAx: From weak dispersion forces to strong correlation N Colonna, M Hellgren, S De Gironcoli
Physical Review B 93 (19), 195108, 2016
26 2016 Atomic-level description of thermal fluctuations in inorganic lead halide perovskites O Cannelli, J Wiktor, N Colonna, L Leroy, M Puppin, C Bacellar, I Sadykov, ...
The Journal of Physical Chemistry Letters 13 (15), 3382-3391, 2022
24 2022 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
23 2022 Screening in orbital-density-dependent functionals N Colonna, NL Nguyen, A Ferretti, N Marzari
Journal of chemical theory and computation 14 (5), 2549-2557, 2018
21 2018 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
19 2022 Effects of nonhydrostatic pressure on the structural and magnetic properties of BaFe N Colonna, G Profeta, A Continenza
Physical Review B—Condensed Matter and Materials Physics 83 (22), 224526, 2011
19 2011 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
18 2023 Nanoscale-Resolved Surface-to-Bulk Electron Transport in CsPbBr3 Perovskite S Polishchuk, M Puppin, A Crepaldi, G Gatti, DN Dirin, O Nazarenko, ...
Nano Letters 22 (3), 1067-1074, 2022
14 2022 Ultrafast frustration breaking and magnetophononic driving of singlet excitations in a quantum magnet F Giorgianni, B Wehinger, S Allenspach, N Colonna, C Vicario, P Puphal, ...
Physical Review B 107 (18), 184440, 2023
10 2023 Electronic structure of water from Koopmans-compliant functionals JM de Almeida, NL Nguyen, N Colonna, W Chen, C Rodrigues Miranda, ...
Journal of Chemical Theory and Computation 17 (7), 3923-3930, 2021
10 2021 
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Adresse e-mail validée de epfl.ch
