G
Gabriele Sclauzero
Researcher at École Polytechnique Fédérale de Lausanne
Publications - 16
Citations - 33298
Gabriele Sclauzero is an academic researcher from École Polytechnique Fédérale de Lausanne. The author has contributed to research in topics: Graphene & Ballistic conduction. The author has an hindex of 11, co-authored 16 publications receiving 26644 citations. Previous affiliations of Gabriele Sclauzero include ETH Zurich & International School for Advanced Studies.
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,Andrea Dal Corso,Andrea Dal Corso,Stefano de Gironcoli,Stefano de Gironcoli,Stefano Fabris,Stefano Fabris,Guido Fratesi,Ralph Gebauer,Ralph Gebauer,Uwe Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Sandro Scandolo,Gabriele Sclauzero,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +40 more
TL;DR: QUANTUM ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
Journal ArticleDOI
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,A. Dal Corso,Stefano Fabris,Guido Fratesi,S. de Gironcoli,Ralph Gebauer,U. Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +32 more
TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
Journal ArticleDOI
Infrared spectra of jennite and tobermorite from first-principles
TL;DR: In this paper, the infrared absorption spectra of jennite, tobermorite 14 angstrom, anomalous tibermorite 11 angstrom and normal tiberminerite 12 angstrom were simulated within a density functional perturbation theory, yielding Born effective charges and dielectric constants.
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Tuning the metal-insulator transition in d 1 and d 2 perovskites by epitaxial strain: A first-principles-based study
TL;DR: In this paper, the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in perovskite systems with electron configurations of the transition metal (TM) cation was investigated.
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Carbon rehybridization at the graphene/SiC(0001) interface: Effect on stability and atomic-scale corrugation
TL;DR: In this article, a series of low-strain commensurate interface structures within a density functional scheme was studied, and the 6 root 3x6 root 3R30 degrees SiC periodicity showed the lowest interface energy, providing a rationale for its frequent experimental observation.