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Lorenzo Paulatto
Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Sorbonne Université (former Pierre et Marie Curie Paris 6)
Bestätigte E-Mail-Adresse bei sorbonne-universite.fr
Titel
Zitiert von
Zitiert von
Jahr
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
312392009
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
82522017
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
16312020
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 6280, 2016
14162016
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
6412014
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
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
4512016
Ab initio variational approach for evaluating lattice thermal conductivity
G Fugallo, M Lazzeri, L Paulatto, F Mauri
Physical Review B—Condensed Matter and Materials Physics 88 (4), 045430, 2013
3232013
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
2762013
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
Physical Review B 96 (1), 014111, 2017
1792017
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
1332017
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
1182019
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
1052015
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
922018
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
522015
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, ...
Physical Review B 100 (21), 214307, 2019
452019
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
402019
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
352009
Hydrodynamic heat transport regime in bismuth: a theoretical viewpoint
M Markov, J Sjakste, G Barbarino, G Fugallo, L Paulatto, M Lazzeri, ...
Physical Review Letters 120 (7), 075901, 2018
282018
First-principles modeling of chlorine isotope fractionation between chloride-bearing molecules and minerals
E Balan, L Créon, C Sanloup, J Aléon, M Blanchard, L Paulatto, H Bureau
Chemical Geology 525, 424-434, 2019
272019
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