| Neural network interatomic potential for the phase change material GeTe GC Sosso, G Miceli, S Caravati, J Behler, M Bernasconi Physical review B 85 (17), 174103, 2012 | 253 | 2012 |
| Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations GC Sosso, G Miceli, S Caravati, F Giberti, J Behler, M Bernasconi The journal of physical chemistry letters 4 (24), 4241-4246, 2013 | 159 | 2013 |
| Self-compensation due to point defects in Mg-doped GaN G Miceli, A Pasquarello Physical Review B 93 (16), 165207, 2016 | 138 | 2016 |
| Nonempirical dielectric-dependent hybrid functional with range separation for semiconductors and insulators W Chen, G Miceli, GM Rignanese, A Pasquarello Physical Review Materials 2 (7), 073803, 2018 | 92 | 2018 |
| Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions G Miceli, S de Gironcoli, A Pasquarello The Journal of chemical physics 142 (3), 2015 | 92 | 2015 |
| Nonempirical hybrid functionals for band gaps and polaronic distortions in solids G Miceli, W Chen, I Reshetnyak, A Pasquarello Physical Review B 97 (12), 121112, 2018 | 91 | 2018 |
| Electronic levels of excess electrons in liquid water F Ambrosio, G Miceli, A Pasquarello The journal of physical chemistry letters 8 (9), 2055-2059, 2017 | 79 | 2017 |
| Ab initio Electronic Structure of Liquid Water W Chen, F Ambrosio, G Miceli, A Pasquarello Physical review letters 117 (18), 186401, 2016 | 78 | 2016 |
| Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals F Ambrosio, G Miceli, A Pasquarello The Journal of chemical physics 143 (24), 2015 | 73 | 2015 |
| Structural, dynamical, and electronic properties of liquid water: A hybrid functional study F Ambrosio, G Miceli, A Pasquarello The Journal of Physical Chemistry B 120 (30), 7456-7470, 2016 | 70 | 2016 |
| Energetics of native point defects in GaN: A density-functional study G Miceli, A Pasquarello Microelectronic Engineering 147, 51-54, 2015 | 60 | 2015 |
| Nuclear quantum effects in ab initio dynamics: Theory and experiments for lithium imide M Ceriotti, G Miceli, A Pietropaolo, D Colognesi, A Nale, M Catti, ... Physical Review B 82 (17), 174306, 2010 | 52 | 2010 |
| First Principles Study of the LiNH2/Li2NH Transformation G Miceli, CS Cucinotta, M Bernasconi, M Parrinello The Journal of Physical Chemistry C 114 (35), 15174-15183, 2010 | 39 | 2010 |
| Liquid water through density-functional molecular dynamics: Plane-wave vs atomic-orbital basis sets G Miceli, J Hutter, A Pasquarello Journal of Chemical Theory and Computation 12 (8), 3456-3462, 2016 | 34 | 2016 |
| Fermi-level pinning through defects at GaAs/oxide interfaces: A density functional study D Colleoni, G Miceli, A Pasquarello Physical Review B 92 (12), 125304, 2015 | 33 | 2015 |
| Origin of Fermi-level pinning at GaAs surfaces and interfaces D Colleoni, G Miceli, A Pasquarello Journal of Physics: Condensed Matter 26 (49), 492202, 2014 | 25 | 2014 |
| Superionic conduction in substoichiometric LiAl alloy: an ab initio study CS Cucinotta, G Miceli, P Raiteri, M Krack, TD Kühne, M Bernasconi, ... Physical review letters 103 (12), 125901, 2009 | 25 | 2009 |
| Band alignment and chemical bonding at the GaAs/Al2O3 interface: A hybrid functional study D Colleoni, G Miceli, A Pasquarello Applied Physics Letters 107 (21), 2015 | 21 | 2015 |
| First principles study of As 2p core-level shifts at GaAs/Al2O3 interfaces G Miceli, A Pasquarello Applied Physics Letters 102 (20), 2013 | 21 | 2013 |
| Migration of Mg and other interstitial metal dopants in GaN G Miceli, A Pasquarello physica status solidi (RRL)–Rapid Research Letters 11 (7), 1700081, 2017 | 16 | 2017 |
