| QUANTUM ESPRESSO: a modular and open-source software project for quantumsimulations of materials P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of physics: Condensed matter 21 (39), 395502, 2009 | 34273 | 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 | 10171 | 2017 |
| Wannier90 as a community code: new features and applications G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ... Journal of Physics: Condensed Matter 32 (16), 165902, 2020 | 2142 | 2020 |
| Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351, 6280, 2016 | 1612 | 2016 |
| Thermal conductivity of graphene and graphite: collective excitations and mean free paths G Fugallo, A Cepellotti, L Paulatto, M Lazzeri, N Marzari, F Mauri Nano letters 14 (11), 6109-6114, 2014 | 698 | 2014 |
| Phonon hydrodynamics in two-dimensional materials A Cepellotti, G Fugallo, L Paulatto, M Lazzeri, F Mauri, N Marzari Nature communications 6 (1), 6400, 2015 | 625 | 2015 |
| V. peybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351, 1415-1423, 2016 | 487 | 2016 |
| Ab initio variational approach for evaluating lattice thermal conductivity G Fugallo, M Lazzeri, L Paulatto, F Mauri arXiv preprint arXiv:1212.0470, 2012 | 354 | 2012 |
| Anharmonic properties from a generalized third-order ab initio approach: Theory and applications to graphite and graphene L Paulatto, F Mauri, M Lazzeri Physical Review B—Condensed Matter and Materials Physics 87 (21), 214303, 2013 | 292 | 2013 |
| Second order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and … R Bianco, I Errea, L Paulatto, M Calandra, F Mauri arXiv preprint arXiv:1703.03212, 2017 | 233 | 2017 |
| First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, , and D Campi, L Paulatto, G Fugallo, F Mauri, M Bernasconi Physical Review B 95 (2), 024311, 2017 | 146 | 2017 |
| Journal of Physics: Condensed Matter P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Journal of Physics-Condensed Matter 21, 395502, 2009 | 134 | 2009 |
| Phonon collapse and second-order phase transition in thermoelectric SnSe U Aseginolaza, R Bianco, L Monacelli, L Paulatto, M Calandra, F Mauri, ... Physical review letters 122 (7), 075901, 2019 | 133 | 2019 |
| First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides L Paulatto, I Errea, M Calandra, F Mauri Physical Review B 91 (5), 054304, 2015 | 115 | 2015 |
| Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles GAS Ribeiro, L Paulatto, R Bianco, I Errea, F Mauri, M Calandra Physical Review B 97 (1), 014306, 2018 | 106 | 2018 |
| Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO (001) S Laporte, F Finocchi, L Paulatto, M Blanchard, E Balan, F Guyot, ... Physical Chemistry Chemical Physics 17 (31), 20382-20390, 2015 | 54 | 2015 |
| Strong anharmonicity and high thermoelectric efficiency in high temperature SnS from first-principles U Aseginolaza, R Bianco, L Monacelli, L Paulatto, M Calandra, F Mauri, ... arXiv preprint arXiv:1906.02047, 2019 | 49 | 2019 |
| Pressure-induced phase transitions in germanium telluride: Raman signatures of anharmonicity and oxidation A Pawbake, C Bellin, L Paulatto, K Béneut, J Biscaras, C Narayana, ... Physical Review Letters 122 (14), 145701, 2019 | 46 | 2019 |
| A. Smo gunov, P. Umari, and RM Wentzcovitch P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... J. Phys. Condens. Matter 21, 395502, 2009 | 38 | 2009 |
| Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides R Nemausat, C Gervais, C Brouder, N Trcera, A Bordage, ... Physical Chemistry Chemical Physics 19 (8), 6246-6256, 2017 | 35 | 2017 |
Francesco MauriSapienza Università di RomaVerified email at uniroma1.it
