QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 2009 | 28109 | 2009 |

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 | 6850 | 2017 |

Phonon-mediated superconductivity in graphene by lithium deposition G Profeta, M Calandra, F Mauri Nature physics 8 (2), 131-134, 2012 | 548 | 2012 |

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials G Paolo, B Stefano, B Nicola, C Matteo, C Roberto, C Carlo, C Davide, ... J. Phys. Condens. Matter 21 (395502), 10.1088, 2009 | 545 | 2009 |

*Colloquium*: Saturation of electrical resistivityO Gunnarsson, M Calandra, JE Han Reviews of Modern Physics 75 (4), 1085, 2003 | 489 | 2003 |

High-pressure hydrogen sulfide from first principles: A strongly anharmonic phonon-mediated superconductor I Errea, M Calandra, CJ Pickard, J Nelson, RJ Needs, Y Li, H Liu, Y Zhang, ... Physical review letters 114 (15), 157004, 2015 | 478 | 2015 |

Exponential localization of Wannier functions in insulators C Brouder, G Panati, M Calandra, C Mourougane, N Marzari Physical review letters 98 (4), 046402, 2007 | 378 | 2007 |

Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides I Errea, M Calandra, F Mauri Physical Review B 89 (6), 064302, 2014 | 371 | 2014 |

Theoretical Explanation of Superconductivity in M Calandra, F Mauri Physical Review Letters 95 (23), 237002, 2005 | 308 | 2005 |

Chemically exfoliated single-layer MoS 2: Stability, lattice dynamics, and catalytic adsorption from first principles M Calandra Physical Review B 88 (24), 245428, 2013 | 302 | 2013 |

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system I Errea, M Calandra, CJ Pickard, JR Nelson, RJ Needs, Y Li, H Liu, ... Nature 532 (7597), 81-84, 2016 | 298 | 2016 |

Anomalous High‐Temperature Superconductivity in YH_{6}IA Troyan, DV Semenok, AG Kvashnin, AV Sadakov, OA Sobolevskiy, ... Advanced Materials 33 (15), 2006832, 2021 | 292 | 2021 |

Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride I Errea, F Belli, L Monacelli, A Sanna, T Koretsune, T Tadano, R Bianco, ... Nature 578 (7793), 66-69, 2020 | 272 | 2020 |

Effect of dimensionality on the charge-density wave in few-layer 2 H-NbSe 2 M Calandra, II Mazin, F Mauri Physical Review B 80 (24), 241108, 2009 | 269 | 2009 |

Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene T Sohier, M Calandra, F Mauri Physical Review B 96 (7), 075448, 2017 | 257 | 2017 |

First-principles theory of anharmonicity and the inverse isotope effect in superconducting palladium-hydride compounds I Errea, M Calandra, F Mauri Physical review letters 111 (17), 177002, 2013 | 257 | 2013 |

Numerical study of the two-dimensional Heisenberg model using a Green function Monte Carlo technique with a fixed number of walkers MC Buonaura, S Sorella Physical Review B 57 (18), 11446, 1998 | 244 | 1998 |

Charge-density wave and superconducting dome in TiSe 2 from electron-phonon interaction M Calandra, F Mauri Physical review letters 106 (19), 196406, 2011 | 222 | 2011 |

Electron-phonon coupling and electron self-energy in electron-doped graphene: Calculation of angular-resolved photoemission spectra M Calandra, F Mauri Physical Review B 76 (20), 205411, 2007 | 219 | 2007 |

Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations T Sohier, M Calandra, F Mauri Physical Review B 94 (8), 085415, 2016 | 196 | 2016 |