دنبال کردن
Nicola Marzari
Nicola Marzari
École Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)
ایمیل تأیید شده در epfl.ch - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
298462009
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
77072017
Maximally localized generalized Wannier functions for composite energy bands‏
N Marzari, D Vanderbilt‏
Physical review B 56 (20), 12847, 1997‏
51161997
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
39712008
Maximally localized Wannier functions: Theory and applications‏
N Marzari, AA Mostofi, JR Yates, I Souza, D Vanderbilt‏
Reviews of Modern Physics 84 (4), 1419-1475, 2012‏
32022012
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—Condensed Matter and Materials Physics 79 (20), 205433, 2009‏
23412009
Maximally localized Wannier functions for entangled energy bands‏
I Souza, N Marzari, D Vanderbilt‏
Physical Review B 65 (3), 035109, 2001‏
22642001
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
21402014
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
17462018
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
14992020
Quantum ESPRESSO toward the exascale‏
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...‏
The Journal of chemical physics 152 (15), 2020‏
13772020
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives‏
N Mounet, N Marzari‏
Physical Review B—Condensed Matter and Materials Physics 71 (20), 205214, 2005‏
13712005
Reproducibility in density functional theory calculations of solids‏
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...‏
Science 351 (6280), aad3000, 2016‏
13622016
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
13161999
Large-Area Epitaxial Monolayer MoS2‏
D Dumcenco, D Ovchinnikov, K Marinov, P Lazic, M Gibertini, N Marzari, ...‏
ACS nano 9 (4), 4611-4620, 2015‏
9482015
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
7522012
Density Functional Theory in Transition-Metal Chemistry: <?format ?>A Self-Consistent Hubbard Approach‏
HJ Kulik, M Cococcioni, DA Scherlis, N Marzari‏
Physical Review Letters 97 (10), 103001, 2006‏
6962006
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
6252016
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
6252014
Precision and efficiency in solid-state pseudopotential calculations‏
G Prandini, A Marrazzo, IE Castelli, N Mounet, N Marzari‏
npj Computational Materials 4 (1), 72, 2018‏
5952018
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20