Nicola Marzari
Title
Cited by
Cited by
Year
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
187912009
Maximally localized generalized Wannier functions for composite energy bands
N Marzari, D Vanderbilt
Physical review B 56 (20), 12847, 1997
36561997
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
25282017
wannier90: A tool for obtaining maximally-localised Wannier functions
AA Mostofi, JR Yates, YS Lee, I Souza, D Vanderbilt, N Marzari
Computer physics communications 178 (9), 685-699, 2008
24882008
Uniaxial strain in graphene by Raman spectroscopy: peak splitting, Grüneisen parameters, and sample orientation
TMG Mohiuddin, A Lombardo, RR Nair, A Bonetti, G Savini, R Jalil, ...
Physical Review B 79 (20), 205433, 2009
18132009
Maximally localized Wannier functions: Theory and applications
N Marzari, AA Mostofi, JR Yates, I Souza, D Vanderbilt
Reviews of Modern Physics 84 (4), 1419, 2012
17752012
Maximally localized Wannier functions for entangled energy bands
I Souza, N Marzari, D Vanderbilt
Physical Review B 65 (3), 035109, 2001
15232001
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives
N Mounet, N Marzari
Physical Review B 71 (20), 205214, 2005
11222005
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
AA Mostofi, JR Yates, G Pizzi, YS Lee, I Souza, D Vanderbilt, N Marzari
Computer Physics Communications 185 (8), 2309-2310, 2014
9912014
Thermal contraction and disordering of the Al (110) surface
N Marzari, D Vanderbilt, A De Vita, MC Payne
Physical review letters 82 (16), 3296, 1999
8831999
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246-252, 2018
8272018
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
799*2016
Large-Area Epitaxial Monolayer MoS2
D Dumcenco, D Ovchinnikov, K Marinov, P Lazic, M Gibertini, N Marzari, ...
ACS nano 9 (4), 4611-4620, 2015
6242015
The shear mode of multilayer graphene
PH Tan, WP Han, WJ Zhao, ZH Wu, K Chang, H Wang, YF Wang, ...
Nature materials 11 (4), 294-300, 2012
5852012
Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard Approach
HJ Kulik, M Cococcioni, DA Scherlis, N Marzari
Physical Review Letters 97 (10), 103001, 2006
4932006
Role of disorder and anharmonicity in the thermal conductivity of silicon-germanium alloys: A first-principles study
J Garg, N Bonini, B Kozinsky, N Marzari
Physical review letters 106 (4), 045901, 2011
4362011
Phonon anharmonicities in graphite and graphene
N Bonini, M Lazzeri, N Marzari, F Mauri
Physical review letters 99 (17), 176802, 2007
4262007
Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles
NE Singh-Miller, N Marzari
Physical Review B 80 (23), 235407, 2009
4072009
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
3942014
AiiDA: automated interactive infrastructure and database for computational science
G Pizzi, A Cepellotti, R Sabatini, N Marzari, B Kozinsky
Computational Materials Science 111, 218-230, 2016
3552016
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Articles 1–20