F
Francesco Mauri
Researcher at Sapienza University of Rome
Publications - 369
Citations - 83302
Francesco Mauri is an academic researcher from Sapienza University of Rome. The author has contributed to research in topics: Phonon & Graphene. The author has an hindex of 85, co-authored 352 publications receiving 69332 citations. Previous affiliations of Francesco Mauri include University of Texas at Arlington & University of California, Berkeley.
Papers
More filters
Journal ArticleDOI
Phonon hydrodynamics in two-dimensional materials
Andrea Cepellotti,Giorgia Fugallo,Lorenzo Paulatto,Michele Lazzeri,Francesco Mauri,Nicola Marzari +5 more
TL;DR: Here, density-functional perturbation theory and an exact, variational solution of the Boltzmann transport equation are used to study fully from first-principles phonon transport and heat conductivity in graphene, boron nitride, molybdenum disulphide and the functionalized derivatives graphane and fluorographene.
Journal ArticleDOI
High-pressure hydrogen sulfide from first principles: a strongly anharmonic phonon-mediated superconductor.
Ion Errea,Ion Errea,Matteo Calandra,Chris J. Pickard,Joseph Nelson,Richard J. Needs,Yinwei Li,Hanyu Liu,Yunwei Zhang,Yanming Ma,Francesco Mauri +10 more
TL;DR: First-principles calculations are used to study structural, vibrational, and superconducting properties of H2S and H3S and show that High-pressure hydrogen sulfide is a strongly anharmonic superconductor.
Journal ArticleDOI
Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum
TL;DR: The data calculated for SiO2 are used to confirm that no simple correlation between the chemical shift and Cq NMR parameters and Si-O-Si angle exists, emphasizing the importance of predictive theories in this field.
Journal ArticleDOI
Two-Dimensional Self-Assembly of Supramolecular Clusters and Chains
Matthias Böhringer,Karina Morgenstern,Wolf-Dieter Schneider,Richard Berndt,Richard Berndt,Francesco Mauri,Alessandro De Vita,Roberto Car +7 more
TL;DR: Two-dimensional supramolecular clusters and chains are observed upon submonolayer deposition of 1-nitronaphthalene (NN) onto reconstructed Au(111) as discussed by the authors.
Journal ArticleDOI
Orbital formulation for electronic-structure calculations with linear system-size scaling
TL;DR: A novel energy functional for total-energy and molecular-dynamics calculations is introduced, and proven to have the Kohn-Sham ground-state energy as its absolute minimum, which leads to an algorithm for electronic structure calculations whose computational work load grows linearly with the system size.