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Giacomo Miceli
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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
2432012
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
1582013
Self-compensation due to point defects in Mg-doped GaN
G Miceli, A Pasquarello
Physical Review B 93 (16), 165207, 2016
1332016
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
912018
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
892015
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
872018
Ab initio Electronic Structure of Liquid Water
W Chen, F Ambrosio, G Miceli, A Pasquarello
Physical review letters 117 (18), 186401, 2016
772016
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
742015
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
722017
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
662016
Energetics of native point defects in GaN: A density-functional study
G Miceli, A Pasquarello
Microelectronic Engineering 147, 51-54, 2015
572015
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
512010
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
392010
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
352016
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
312015
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
252014
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
232009
First principles study of As 2p core-level shifts at GaAs/Al2O3 interfaces
G Miceli, A Pasquarello
Applied Physics Letters 102 (20), 2013
212013
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
202015
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
162017
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