Carlo Andrea Rozzi
Carlo Andrea Rozzi
CNR - Istituto Nanoscienze
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octopus: a tool for the application of time‐dependent density functional theory
A Castro, H Appel, M Oliveira, CA Rozzi, X Andrade, F Lorenzen, ...
physica status solidi (b) 243 (11), 2465-2488, 2006
Coherent ultrafast charge transfer in an organic photovoltaic blend
SM Falke, CA Rozzi, D Brida, M Maiuri, M Amato, E Sommer, A De Sio, ...
Science 344 (6187), 1001-1005, 2014
Exact Coulomb cutoff technique for supercell calculations
CA Rozzi, D Varsano, A Marini, EKU Gross, A Rubio
Physical Review B 73 (20), 205119, 2006
Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system
C Andrea Rozzi, S Maria Falke, N Spallanzani, A Rubio, E Molinari, ...
Nature communications 4 (1), 1602, 2013
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ...
The Journal of chemical physics 152 (12), 2020
AL; Gross, EKU; Rubio, A. Octopus: a Tool for the Application of Time-Dependent Density Functional Theory
A Castro, H Appel, M Oliveira, CA Rozzi, X Andrade, F Lorenzen, ...
Phys. Stat. Sol. B 243, 2465-2488, 2006
Tracking the coherent generation of polaron pairs in conjugated polymers
A De Sio, F Troiani, M Maiuri, J Réhault, E Sommer, J Lim, SF Huelga, ...
Nature Communications 7 (1), 13742, 2016
Quenching of majority-channel quasiparticle excitations in cobalt
S Monastra, F Manghi, CA Rozzi, C Arcangeli, E Wetli, HJ Neff, T Greber, ...
Physical review letters 88 (23), 236402, 2002
Electron-electron interactions in artificial graphene
E Räsänen, CA Rozzi, S Pittalis, G Vignale
Physical review letters 108 (24), 246803, 2012
Photoexcitation of a light-harvesting supramolecular triad: a time-dependent DFT study
N Spallanzani, CA Rozzi, D Varsano, T Baruah, MR Pederson, F Manghi, ...
The Journal of Physical Chemistry B 113 (16), 5345-5349, 2009
Quantum modeling of ultrafast photoinduced charge separation
CA Rozzi, F Troiani, I Tavernelli
Journal of Physics: Condensed Matter 30 (1), 013002, 2017
Ab initio Fermi surface and conduction-band calculations in oxygen-reduced
CA Rozzi, F Manghi, F Parmigiani
Physical Review B 68 (7), 075106, 2003
Ab Initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine
C Cocchi, D Prezzi, A Ruini, E Molinari, CA Rozzi
Physical review letters 112 (19), 198303, 2014
Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules
J Krumland, AM Valencia, S Pittalis, CA Rozzi, C Cocchi
The Journal of Chemical Physics 153 (5), 2020
Intermolecular conical intersections in molecular aggregates
A De Sio, E Sommer, XT Nguyen, L Groß, D Popović, BT Nebgen, ...
Nature Nanotechnology 16 (1), 63-68, 2021
Charge Separation Dynamics and Opto‐Electronic Properties of a Diaminoterephthalate‐C60 Dyad
S Pittalis, A Delgado, J Robin, L Freimuth, J Christoffers, C Lienau, ...
Advanced Functional Materials 25 (13), 2047-2053, 2015
Exact Coulomb cutoff technique for supercell calculations in two dimensions
A Castro, E Räsänen, CA Rozzi
Physical Review B 80 (3), 033102, 2009
A Diaminoterephthalate–C60 Dyad: A New Material for Optoelectronic Applications
L Freimuth, CA Rozzi, C Lienau, J Christoffers
Synthesis 47 (09), 1325-1328, 2015
Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach
A Guandalini, C Cocchi, S Pittalis, A Ruini, CA Rozzi
Physical Chemistry Chemical Physics 23 (16), 10059-10069, 2021
Modeling solvation effects in real-space and real-time within density functional approaches
A Delgado, S Corni, S Pittalis, CA Rozzi
The Journal of Chemical Physics 143 (14), 2015
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