Lorenzo Paulatto

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Francesco MauriSapienza Università di RomaVerified email at uniroma1.it
Giorgia FugalloCNRS Researcher - Polytech NantesVerified email at univ-nantes.fr
Matteo CalandraUniversity of Trento, CNRS and Sorbonne UniversitéVerified email at unitn.it
Ion ErreaAssociate Professor at the University of the Basque Country (UPV/EHU)Verified email at ehu.eus
Nicola MarzariChair of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne (EPFL)Verified email at epfl.ch
Andrea CepellottiHarvard University, School of Engineering and Applied SciencesVerified email at g.harvard.edu
Etienne BalanProfesseur de Minéralogie, Sorbonne Université, ParisVerified email at impmc.upmc.fr
Andrea GauzziProfessor of Physics, Sorbonne University, Paris, FranceVerified email at sorbonne-universite.fr
Cabaret DelphineProfesseur de Physique, UPMCVerified email at impmc.upmc.fr
Paola GiuraSorbonne-Université, paris XI, la sapienza, ESRF, paris 6Verified email at sorbonne-universite.fr
Gerald LelongSorbonne Université - IMPMCVerified email at sorbonne-universite.fr
Fabio FinocchiInstitut des NanoSciences de Paris (INSP), CNRS and Sorbonne UniversitéVerified email at insp.jussieu.fr
Marco BernasconiUniversity of Milano-BicoccaVerified email at unimib.it
Davide CampiUniversity of Milano-BicoccaVerified email at unimib.it
Antonino Marco SaittaFull Professor - Director of the Institute for Mineralogy, Physics of Materials and CosmochemistryVerified email at upmc.fr
Oana BunauVerified email at impmc.upmc.fr
Dal Corso AndreaSISSAVerified email at sissa.it
Stefano Baroniprofessor of theoretical condensed-matter physics, SISSA, TriesteVerified email at sissa.it
Amélie JuhinResearcher, CNRS and Université Pierre et Marie Curie.
Lorenzo MonacelliMarie Curie Post-Doc Fellowship, École polytechnique fédérale de Lausanne (EPFL)

Lorenzo Paulatto

IdR @ IMPMC -- CNRS & Sorbonne Université (former Pierre et Marie Curie Paris 6)

Verified email at sorbonne-universite.fr

computational material sciences


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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	21519	2009
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	3577	2017
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351, 6280, 2016	960*	2016
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	463	2014
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	424	2020
Phonon hydrodynamics in two-dimensional materials A Cepellotti, G Fugallo, L Paulatto, M Lazzeri, F Mauri, N Marzari Nature communications 6 (1), 1-7, 2015	384	2015
Ab initio variational approach for evaluating lattice thermal conductivity G Fugallo, M Lazzeri, L Paulatto, F Mauri Physical Review B 88 (4), 045430, 2013	231	2013
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 87 (21), 214303, 2013	202	2013
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	80	2017
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	75	2015
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	70	2017
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	57	2018
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	55	2019
J. phys.: condens. matter P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... mar 21, 395502-395502, 2009	54	2009
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	37	2015
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	21	2019
Understanding the Photomagnetic behavior in copper octacyanomolybdates O Bunau, MA Arrio, P Sainctavit, L Paulatto, M Calandra, A Juhin, ... The Journal of Physical Chemistry A 116 (34), 8678-8683, 2012	21	2012
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	20	2019
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	19	2018
X-ray magnetic and natural circular dichroism from first principles: Calculation of - and -edge spectra N Bouldi, NJ Vollmers, CG Delpy-Laplanche, Y Joly, A Juhin, P Sainctavit, ... Physical Review B 96 (8), 085123, 2017	17	2017

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