LP
Lorenzo Paulatto
cond-mat.mtrl-scichemical functionalizationcond-mat.othercond-mat.str-elcond-mat.supr-conElectricityfirst-principles calculationsgraphenegraphiteLangevin dynamics
On Valency
published · living versionsW_37k25hgd·v1 · currentpublished
Ab initio variational approach for evaluating lattice thermal conductivity
with Giorgia Fugallo, Michele Lazzeri, Francesco Mauri
1 version
Preprints & journals
29 papers in the corpus · 2009–2026A metallic CrS phase bridging the gap between two- and three-dimensional dichalcogenides2604.08695v1 · Hicham Moutaabbid, Dario Taverna, Denis Pelloquin et al.2026 · 0 citationsarXiv
Occurrence of the collective Ziman limit of heat transport in cubic semiconductors: scattering channels and size effects2404.02553v1 · Jelena Sjakste, Maxime Markov, Raja Sen et al.2024 · 0 citationsarXiv
Reciprocal space temperature-dependent phonons method fromab-initiodynamics.37279720 · Garba, Ibrahim Buba, Morresi, Tommaso, Bouillaguet, Charles et al.2023 · 2 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2023;35(39)
Thermal transport in ultrathin Si nanowires: a first principles study2207.02082v1 · Konstanze R. Hahn, Claudio Melis, Fabio Bernardini et al.2022 · 0 citationsarXiv
Functional Monochalcogenides: Raman Evidence Linking Properties, Structure, and Metavalent Bonding.33064510 · Bellin, Christophe, Pawbake, Amit, Paulatto, Lorenzo et al.2020 · 30 citationsPhysical review letters. 2020;125(14):145301
Thermal conductivity of BiSe from bulk to thin films: theory and experiment1912.06440v2 · Lorenzo Paulatto, Daniele Fournier, Massimiliano Marangolo et al.2019 · 20 citationsarXiv
Wannier90 as a community code: new features and applications1907.09788v1 · Giovanni Pizzi, Valerio Vitale, Ryotaro Arita et al.2019 · 1,851 citationsJ. Phys. Cond. Matt. 32, 165902 (2020)
Strong anharmonicity and high thermoelectric efficiency in high temperature SnS from first-principles1906.02047v1 · Unai Aseginolaza, Raffaello Bianco, Lorenzo Monacelli et al.2019 · 50 citationsPhys. Rev. B 100, 214307 (2019)
Pressure-Induced Phase Transitions in Germanium Telluride: Raman Signatures of Anharmonicity and Oxidation.31050486 · Pawbake, Amit, Bellin, Christophe, Paulatto, Lorenzo et al.2019 · 51 citationsPhysical review letters. 2019;122(14):145701
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe.30848620 · Aseginolaza, Unai, Bianco, Raffaello, Monacelli, Lorenzo et al.2019 · 130 citationsPhysical review letters. 2019;122(7):075901
Breakdown of Herring's processes in cubic semiconductors for sub-terahertz longitudinal acoustic phonons1808.01461v2 · Maxime Markov, Jelena Sjakste, Nathalie Vast et al.2018 · 7 citationsPhys. Rev. B 98, 245201 (2018)
Importance of non-local electron correlations in BaNiS semimetal from quantum oscillations studies1803.03630v1 · Yannick Klein, Michele Casula, David Santos-Cottin et al.2018 · 12 citationsPhysical Review B 97, 075140 (2018)
Hydrodynamic Heat Transport Regime in Bismuth: A Theoretical Viewpoint.29542969 · Markov, Maxime, Sjakste, Jelena, Barbarino, Giuliana et al.2018 · 25 citationsPhysical review letters. 2018;120(7):075901
Advanced capabilities for materials modelling with Quantum ESPRESSO1709.10010v1 · P. Giannozzi, O. Andreussi, T. Brumme et al.2017 · 8,941 citationsJ. Phys.: Condens. Matter 29, 465901 (2017)
Anharmonic phonon spectra of PbTe and SnTe in the self-consistent harmonic approximation1709.03177v1 · Guilherme A. Ribeiro, Lorenzo Paulatto, Raffaello Bianco et al.2017 · 96 citationsPhys. Rev. B 97, 014306 (2018)
van der Waals Contribution to the Relative Stability of Aqueous Zn(2+) Coordination States.28621954 · Ducher, Manoj, Pietrucci, Fabio, Balan, Etienne et al.2018 · 18 citationsJournal of chemical theory and computation. 2017;13(7):3340-3347
X-ray Magnetic and Natural Circular Dichroism from first principles: Calculation of K- and L1-edge spectra1705.02192v1 · N. Bouldi (IMPMC, SSOLEIL), N. J. Vollmers et al.2017 · 21 citationsPhys. Rev. B 96, 085123 (2017)
Second order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation1703.03212v2 · Raffaello Bianco, Ion Errea, Lorenzo Paulatto et al.2017 · 201 citationsPhys. Rev. B 96, 014111 (2017)
Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides.28195284 · Nemausat, Ruidy, Gervais, Christel, Brouder, Christian et al.2018 · 28 citationsPhysical chemistry chemical physics : PCCP. 2017;19(8):6246-6256
Reproducibility in density functional theory calculations of solids.27013736 · Lejaeghere, Kurt, Bihlmayer, Gustav, Björkman, Torbjörn et al.2016 · 1,642 citationsScience (New York, N.Y.). 2016;351(6280):aad3000
Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001).26193818 · Laporte, Sara, Finocchi, Fabio, Paulatto, Lorenzo et al.2016 · 48 citationsPhysical chemistry chemical physics : PCCP. 2015;17(31):20382-90
Phonon hydrodynamics in two-dimensional materials.25744932 · Cepellotti, Andrea, Fugallo, Giorgia, Paulatto, Lorenzo et al.2015 · 539 citationsNature communications. 2015;6:6400
First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides1411.5628v1 · Lorenzo Paulatto, Ion Errea, Matteo Calandra et al.2014 · 96 citationsPhys. Rev. B 91, 054304 (2015)
Thermal conductivity of graphene and graphite: collective excitations and mean free paths.25343716 · Fugallo, Giorgia, Cepellotti, Andrea, Paulatto, Lorenzo et al.2015 · 586 citationsNano letters. 2014;14(11):6109-14
Phonon anomalies and lattice dynamics in superconducting oxychlorides CaCuOCl1305.6719v3 · Matteo D'Astuto (IMPMC), Ikuya Yamada (IMPMC), Paola Giura (IMPMC) et al.2013 · 15 citationsPhysical Review B (Condensed Matter) 88, 1 (2013) 014522
Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene1304.2626v1 · Lorenzo Paulatto, Francesco Mauri, Michele Lazzeri2013 · 233 citationsarXiv
Ab initio variational approach for evaluating lattice thermal conductivity1212.0470v2 · Giorgia Fugallo, Michele Lazzeri, Lorenzo Paulatto et al.2012 · 280 citationsarXivon Valency
Understanding the photomagnetic behavior in copper octacyanomolybdates.22857603 · Bunău, O, Arrio, M-A, Sainctavit, Ph et al.2013 · 24 citationsThe journal of physical chemistry. A. 2012;116(34):8678-83
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.21832390 · Giannozzi, Paolo, Baroni, Stefano, Bonini, Nicola et al.2012 · 29,324 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2009;21(39):395502
Career total: 68 works. 29 are in this corpus.
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