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 | 28132 | 2009 |
Raman spectrum of graphene and graphene layers AC Ferrari, JC Meyer, V Scardaci, C Casiraghi, M Lazzeri, F Mauri, ... Physical review letters 97 (18), 187401, 2006 | 16848 | 2006 |
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 | 6863 | 2017 |
All-electron magnetic response with pseudopotentials: NMR chemical shifts CJ Pickard, F Mauri Physical Review B 63 (24), 245101, 2001 | 1918 | 2001 |
Breakdown of the adiabatic Born–Oppenheimer approximation in graphene S Pisana, M Lazzeri, C Casiraghi, KS Novoselov, AK Geim, AC Ferrari, ... Nature materials 6 (3), 198-201, 2007 | 1697 | 2007 |
Kohn anomalies and electron-phonon interactions in graphite S Piscanec, M Lazzeri, F Mauri, AC Ferrari, J Robertson Physical review letters 93 (18), 185503, 2004 | 1111 | 2004 |
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials JR Yates, CJ Pickard, F Mauri Physical Review B 76 (2), 024401, 2007 | 1008 | 2007 |
Theory of double-resonant Raman spectra in graphene: Intensity and line shape of defect-induced and two-phonon bands P Venezuela, M Lazzeri, F Mauri Physical Review B 84 (3), 035433, 2011 | 690 | 2011 |
Nonadiabatic Kohn anomaly in a doped graphene monolayer M Lazzeri, F Mauri Physical review letters 97 (26), 266407, 2006 | 666 | 2006 |
Structure, stability, edge states, and aromaticity of graphene ribbons T Wassmann, AP Seitsonen, AM Saitta, M Lazzeri, F Mauri Physical review letters 101 (9), 096402, 2008 | 639 | 2008 |
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 | 591 | 2014 |
Optical phonons in carbon nanotubes: Kohn anomalies, Peierls distortions, and dynamic effects S Piscanec, M Lazzeri, J Robertson, AC Ferrari, F Mauri Physical Review B 75 (3), 035427, 2007 | 578 | 2007 |
Phonon-mediated superconductivity in graphene by lithium deposition G Profeta, M Calandra, F Mauri Nature physics 8 (2), 131-134, 2012 | 550 | 2012 |
D., K. S. Novoselov, S. Roth, and AK Geim,“Raman spectrum of graphene and graphene layers,” AC Ferrari, JC Meyer, V Scardaci, C Casiraghi, M Lazzeri, F Mauri, ... Phys. Rev. Lett 97, 1874011-174014, 2006 | 549 | 2006 |
Phonon anharmonicities in graphite and graphene N Bonini, M Lazzeri, N Marzari, F Mauri Physical review letters 99 (17), 176802, 2007 | 539 | 2007 |
First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist’s point of view C Bonhomme, C Gervais, F Babonneau, C Coelho, F Pourpoint, T Azais, ... Chemical Reviews 112 (11), 5733-5779, 2012 | 537 | 2012 |
Orbital formulation for electronic-structure calculations with linear system-size scaling F Mauri, G Galli, R Car Physical Review B 47 (15), 9973, 1993 | 531 | 1993 |
Phonon hydrodynamics in two-dimensional materials A Cepellotti, G Fugallo, L Paulatto, M Lazzeri, F Mauri, N Marzari Nature communications 6 (1), 6400, 2015 | 526 | 2015 |
Two-dimensional self-assembly of supramolecular clusters and chains M Böhringer, K Morgenstern, WD Schneider, R Berndt, F Mauri, A De Vita, ... Physical Review Letters 83 (2), 324, 1999 | 482 | 1999 |
Accurate first principles prediction of 17O NMR parameters in SiO2: assignment of the zeolite ferrierite spectrum M Profeta, F Mauri, CJ Pickard Journal of the American Chemical Society 125 (2), 541-548, 2003 | 480 | 2003 |