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Francesco Mauri
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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
312052009
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
177512006
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
82332017
All-electron magnetic response with pseudopotentials: NMR chemical shifts
CJ Pickard, F Mauri
Physical Review B 63 (24), 245101, 2001
20112001
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
17212007
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
11392004
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials
JR Yates, CJ Pickard, F Mauri
Physical Review B—Condensed Matter and Materials Physics 76 (2), 024401, 2007
10632007
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—Condensed Matter and Materials Physics 84 (3), 035433, 2011
7162011
Nonadiabatic Kohn anomaly in a doped graphene monolayer
M Lazzeri, F Mauri
Physical review letters 97 (26), 266407, 2006
6832006
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
6442008
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
6402014
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—Condensed Matter and Materials Physics 75 (3), 035427, 2007
5912007
Phonon-mediated superconductivity in graphene by lithium deposition
G Profeta, M Calandra, F Mauri
Nature physics 8 (2), 131-134, 2012
5772012
Phonon hydrodynamics in two-dimensional materials
A Cepellotti, G Fugallo, L Paulatto, M Lazzeri, F Mauri, N Marzari
Nature communications 6 (1), 6400, 2015
5692015
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
5672012
Phonon anharmonicities in graphite and graphene
N Bonini, M Lazzeri, N Marzari, F Mauri
Physical review letters 99 (17), 176802, 2007
5562007
Orbital formulation for electronic-structure calculations with linear system-size scaling
F Mauri, G Galli, R Car
Physical Review B 47 (15), 9973, 1993
5381993
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
5212015
Phonon linewidths and electron-phonon coupling in graphite and nanotubes
M Lazzeri, S Piscanec, F Mauri, AC Ferrari, J Robertson
Physical Review B—Condensed Matter and Materials Physics 73 (15), 155426, 2006
5012006
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
4972003
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