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Nicola Colonna
Nicola Colonna
Senior Scientist, Laboratory for Materials Simulations, PSI
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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
66962017
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
932020
Koopmans-compliant spectral functionals for extended systems
NL Nguyen, N Colonna, A Ferretti, N Marzari
Physical Review X 8 (2), 021051, 2018
762018
Structural and magnetic properties of CaFe 2 As 2 and BaFe 2 As 2 from first-principles density functional theory
N Colonna, G Profeta, A Continenza, S Massidda
Physical Review B 83 (9), 094529, 2011
592011
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
532014
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism
NL Nguyen, N Colonna, S De Gironcoli
Physical Review B 90 (4), 045138, 2014
522014
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
412021
Beyond the random phase approximation with a local exchange vertex
M Hellgren, N Colonna, S De Gironcoli
Physical Review B 98 (4), 045117, 2018
412018
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
382019
J. Phys.: Condens. Matter
P Giannozzi, O Andreussi, T Brumme, O Bunau, NM Buongiorno, ...
J. Phys.: Condens. Matter 29 (465901), 2017
32*2017
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
252019
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
252016
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
202022
Effects of nonhydrostatic pressure on the structural and magnetic properties of BaFe 2 As 2
N Colonna, G Profeta, A Continenza
Physical Review B 83 (22), 224526, 2011
192011
EK cükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, NL Nguyen, H
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini …, 2017
182017
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
172018
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
152022
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
142022
RAD Jr, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo et al
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
J. Phys.: Condens. Matter 29, 465901, 2017
112017
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
92023
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