ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ... Computer Physics Communications 180 (12), 2582-2615, 2009 | 2411 | 2009 |

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 | 683 | 2006 |

Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ... Computer Physics Communications 205, 106-131, 2016 | 419 | 2016 |

Libxc: A library of exchange and correlation functionals for density functional theory MAL Marques, MJT Oliveira, T Burnus Computer Physics Communications 183 (10), 2272-2281, 2012 | 393 | 2012 |

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ... Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015 | 290 | 2015 |

Density-based mixing parameter for hybrid functionals MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti Physical Review B 83 (3), 035119, 2011 | 274 | 2011 |

Time-dependent density-functional theory in massively parallel computer architectures: the octopus project X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ... Journal of Physics: Condensed Matter 24 (23), 233202, 2012 | 219 | 2012 |

Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations L He, F Liu, G Hautier, MJT Oliveira, MAL Marques, FD Vila, JJ Rehr, ... Physical Review B 89 (6), 064305, 2014 | 134 | 2014 |

Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine MJT Oliveira, F Nogueira Computer Physics Communications 178 (7), 524-534, 2008 | 129 | 2008 |

Recent developments in libxc—A comprehensive library of functionals for density functional theory S Lehtola, C Steigemann, MJT Oliveira, MAL Marques SoftwareX 7, 1-5, 2018 | 114 | 2018 |

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory D Waroquiers, A Lherbier, A Miglio, M Stankovski, S Poncé, MJT Oliveira, ... Physical Review B 87 (7), 075121, 2013 | 63 | 2013 |

Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ... NPJ Computational Materials 3 (1), 1-9, 2017 | 38 | 2017 |

The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures A Castro, MAL Marques, AH Romero, MJT Oliveira, A Rubio The Journal of chemical physics 129 (14), 144110, 2008 | 37 | 2008 |

Self-consistent method for real-space time-dependent density functional theory calculations N Tancogne-Dejean, MJT Oliveira, A Rubio Physical Review B 96 (24), 245133, 2017 | 32 | 2017 |

Insights into colour-tuning of chlorophyll optical response in green plants J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ... Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015 | 31 | 2015 |

Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays A Crawford-Uranga, U De Giovannini, E Räsänen, MJT Oliveira, ... Physical Review A 90 (3), 033412, 2014 | 30 | 2014 |

A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations P García‐Risueño, J Alberdi‐Rodriguez, MJT Oliveira, X Andrade, ... Journal of computational chemistry 35 (6), 427-444, 2014 | 27 | 2014 |

On the Use of Neumann's Principle for the Calculation of the Polarizability Tensor of Nanostructures MJT Oliveira, A Castro, MAL Marques, A Rubio Journal of nanoscience and nanotechnology 8 (7), 3392-3398, 2008 | 16 | 2008 |

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), 124119, 2020 | 14 | 2020 |

Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory MJT Oliveira, B Mignolet, T Kus, TA Papadopoulos, F Remacle, ... Journal of chemical theory and computation 11 (5), 2221-2233, 2015 | 13 | 2015 |