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 | 31284 | 2009 |
Infrared spectra of jennite and tobermorite from first-principles A Vidmer, G Sclauzero, A Pasquarello Cement and Concrete Research 60, 11-23, 2014 | 89 | 2014 |
Tuning the metal-insulator transition in and perovskites by epitaxial strain: A first-principles-based study G Sclauzero, K Dymkowski, C Ederer Physical Review B 94 (24), 245109, 2016 | 70 | 2016 |
Carbon rehybridization at the graphene/SiC (0001) interface: Effect on stability and atomic-scale corrugation G Sclauzero, A Pasquarello Physical Review B—Condensed Matter and Materials Physics 85 (16), 161405, 2012 | 42 | 2012 |
Structural and electronic properties of epitaxially strained from density functional theory and dynamical mean-field theory G Sclauzero, C Ederer Physical Review B 92 (23), 235112, 2015 | 29 | 2015 |
Metal-insulator transition in thin films: Interplay between epitaxial strain, dimensional confinement, and surface effects S Beck, G Sclauzero, U Chopra, C Ederer Physical Review B 97 (7), 075107, 2018 | 26 | 2018 |
Efficient calculations of ballistic electron transport: Application to Au monatomic chains with a CO impurity G Sclauzero, A Dal Corso Physical Review B—Condensed Matter and Materials Physics 87 (8), 085108, 2013 | 22 | 2013 |
Giant apparent lattice distortions in STM images of corrugated sp2-hybridised monolayers Q Dubout, F Calleja, G Sclauzero, M Etzkorn, A Lehnert, L Claude, ... New Journal of Physics 18 (10), 103027, 2016 | 21 | 2016 |
Interaction of a CO molecule with a Pt monatomic wire: Electronic structure and ballistic conductance G Sclauzero, A Dal Corso, A Smogunov, E Tosatti Physical Review B—Condensed Matter and Materials Physics 78 (8), 085421, 2008 | 21 | 2008 |
Interaction of CO with an Au monatomic chain at different strains: Electronic structure and ballistic transport G Sclauzero, A Dal Corso, A Smogunov Physical Review B—Condensed Matter and Materials Physics 85 (16), 165411, 2012 | 15 | 2012 |
Stability and charge transfer at the interface between SiC (0 0 0 1) and epitaxial graphene G Sclauzero, A Pasquarello Microelectronic engineering 88 (7), 1478-1481, 2011 | 13 | 2011 |
Intercalation of H at the graphene/SiC (0001) interface: Structure and stability from first principles G Sclauzero, A Pasquarello Applied surface science 291, 64-68, 2014 | 12 | 2014 |
Low-strain interface models for epitaxial graphene on SiC (0001) G Sclauzero, A Pasquarello Diamond and related materials 23, 178-183, 2012 | 12 | 2012 |
Effect of stretching on the ballistic conductance of Au nanocontacts in presence of CO: A density functional study G Sclauzero, A Dal Corso, A Smogunov Physical Review B—Condensed Matter and Materials Physics 85 (16), 165412, 2012 | 9 | 2012 |
First‐principles study of H adsorption on graphene/SiC (0001) G Sclauzero, A Pasquarello Physica status solidi (b) 250 (12), 2523-2528, 2013 | 8 | 2013 |
QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization P Giannozzi, O Andreussi, S Baroni, N Bonini, T Brumme, O Bunau, ... Astrophysics Source Code Library, ascl: 1806.006, 2018 | | 2018 |
DFT+DMFT study of strain and interface effects in d1 and d2 t2 g-perovskites G Sclauzero, K Dymkowski, C Ederer APS March Meeting Abstracts 2015, T13. 013, 2015 | | 2015 |
Modeling CO adsorption on Pt and Au monatomic chains and nanocontacts G Sclauzero SISSA, 2010 | | 2010 |
Interaction of a CO molecule with a Pt monoatomic chain: the top geometry G Sclauzero, A Dal Corso, A Smogunov, E Tosatti AIP Conference Proceedings 1018, 201-204, 2008 | | 2008 |