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 | 30016 | 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 | 7801 | 2017 |
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 | 594 | 2009 |
Phonon-mediated superconductivity in graphene by lithium deposition G Profeta, M Calandra, F Mauri Nature physics 8 (2), 131-134, 2012 | 572 | 2012 |
Colloquium: Saturation of electrical resistivity O Gunnarsson, M Calandra, JE Han Reviews of Modern Physics 75 (4), 1085, 2003 | 507 | 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 | 506 | 2015 |
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 | 411 | 2014 |
Exponential localization of Wannier functions in insulators C Brouder, G Panati, M Calandra, C Mourougane, N Marzari Physical review letters 98 (4), 046402, 2007 | 409 | 2007 |
Anomalous High‐Temperature Superconductivity in YH6 IA Troyan, DV Semenok, AG Kvashnin, AV Sadakov, OA Sobolevskiy, ... Advanced Materials 33 (15), 2006832, 2021 | 364 | 2021 |
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 | 323 | 2016 |
Theoretical Explanation of Superconductivity in M Calandra, F Mauri Physical Review Letters 95 (23), 237002, 2005 | 316 | 2005 |
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 | 315 | 2020 |
Chemically exfoliated single-layer : Stability, lattice dynamics, and catalytic adsorption from first principles M Calandra Physical Review B 88 (24), 245428, 2013 | 313 | 2013 |
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 | 289 | 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 | 284 | 2013 |
Effect of dimensionality on the charge-density wave in few-layer M Calandra, II Mazin, F Mauri Physical Review B—Condensed Matter and Materials Physics 80 (24), 241108, 2009 | 283 | 2009 |
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 | 248 | 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 | 235 | 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—Condensed Matter and Materials Physics 76 (20), 205411, 2007 | 234 | 2007 |
Electron–phonon interactions and the intrinsic electrical resistivity of graphene CH Park, N Bonini, T Sohier, G Samsonidze, B Kozinsky, M Calandra, ... Nano letters 14 (3), 1113-1119, 2014 | 209 | 2014 |