| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of Chemical Physics 152 (12), 124101, 2020 | 753 | 2020 |
| Quantitative sampling of atomic-scale electromagnetic waveforms D Peller, C Roelcke, LZ Kastner, T Buchner, A Neef, J Hayes, F Bonafé, ... Nature Photonics 15 (2), 143-147, 2021 | 55 | 2021 |
| Optical properties of graphene nanoflakes: Shape matters C Mansilla Wettstein, FP Bonafé, MB Oviedo, CG Sánchez The Journal of chemical physics 144 (22), 224305, 2016 | 54 | 2016 |
| A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations FP Bonafé, B Aradi, B Hourahine, CR Medrano, FJ Hernández, ... Journal of Chemical Theory and Computation 16 (7), 4454-4469, 2020 | 52 | 2020 |
| A theoretical study of the optical properties of nanostructured TiO2 VC Fuertes, CFA Negre, MB Oviedo, FP Bonafé, FY Oliva, CG Sánchez Journal of Physics: Condensed Matter 25 (11), 115304, 2013 | 48 | 2013 |
| Plasmon-driven sub-picosecond breathing of metal nanoparticles FP Bonafé, B Aradi, M Guan, OA Douglas-Gallardo, C Lian, S Meng, ... Nanoscale 9 (34), 12391-12397, 2017 | 38 | 2017 |
| Fully Atomistic Real-Time Simulations of Transient Absorption Spectroscopy FP Bonafé, FJ Hernández, B Aradi, T Frauenheim, CG Sánchez The journal of physical chemistry letters 9 (15), 4355-4359, 2018 | 28 | 2018 |
| Ultra-small rhenium clusters supported on graphene O Miramontes, F Bonafé, U Santiago, E Larios-Rodriguez, ... Physical Chemistry Chemical Physics 17 (12), 7898-7906, 2015 | 28 | 2015 |
| Dynamical evolution of the Schottky barrier as a determinant contribution to electron–hole pair stabilization and photocatalysis of plasmon-induced hot carriers M Berdakin, G Soldano, FP Bonafé, V Liubov, B Aradi, T Frauenheim, ... Nanoscale 14 (7), 2816-2825, 2022 | 12 | 2022 |
| Simulation of Impulsive Vibrational Spectroscopy FJ Hernández, FP Bonafé, B Aradi, T Frauenheim, CG Sánchez The Journal of Physical Chemistry A 123 (10), 2065-2072, 2019 | 12 | 2019 |
| Uniform Selenization of Crack-Free Films of Cu(In,Ga)Se2 Nanocrystals TB Harvey, F Bonafé, T Updegrave, VR Voggu, C Thomas, ... ACS Applied Energy Materials 2 (1), 736-742, 2018 | 9 | 2018 |
| Fano Resonance and Incoherent interlayer excitons in molecular van der Waals heterostructures CR Lien-Medrano, FP Bonafé, CY Yam, CA Palma, CG Sánchez, ... Nano Letters 22 (3), 911-917, 2022 | 6 | 2022 |
| First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images Y Litman, FP Bonafé, A Akkoush, H Appel, M Rossi The Journal of Physical Chemistry Letters 14, 6850-6859, 2023 | 4 | 2023 |
| Inelastic light scattering in the vicinity of a single-atom quantum point contact in a plasmonic picocavity S Liu, FP Bonafe, H Appel, A Rubio, M Wolf, T Kumagai ACS nano 17 (11), 10172-10180, 2023 | 4 | 2023 |
| Erratum:“DFTB+, a software package for efficient approximate density functional theory based atomistic simulations”[J. Chem. Phys. 152, 124101 (2020)] B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of Chemical Physics 157 (3), 2022 | 3 | 2022 |
| Time-resolved plasmon-assisted generation of optical-vortex pulses EI Albar, FP Bonafé, VP Kosheleva, ST Ohlmann, H Appel, A Rubio Scientific Reports 13 (1), 14748, 2023 | 1 | 2023 |
| Tunable Tesla-scale magnetic attosecond pulses through ring-current gating A de Las Heras, FP Bonafé, C Hernández-García, A Rubio, O Neufeld The Journal of Physical Chemistry Letters 14, 11160-11167, 2023 | | 2023 |
| Full minimal coupling in the self-consistent Maxwell-TDDFT first principles framework F Bonafe, H Appel, A Rubio Bulletin of the American Physical Society, 2023 | | 2023 |
| Generation of Orbital Angular Momentum with Archimedean Spirals EI Albar, F Bonafe, H Appel, V Kosheleva, A Rubio Bulletin of the American Physical Society, 2023 | | 2023 |
| Quantitative Waveform Sampling on Atomic Scales C Roelcke, D Peller, LZ Kastner, T Buchner, A Neef, J Hayes, F Bonafé, ... CLEO: QELS_Fundamental Science, FTh1K. 6, 2021 | | 2021 |
