Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals von Ambrosio, Francesco, Miceli, Giacomo, Pasquarello, Alfredo

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Energetics of native point defects in GaN: A density-functional study von Miceli, Giacomo, Pasquarello, Alfredo

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Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study von Ambrosio, Francesco, Miceli, Giacomo, Pasquarello, Alfredo

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Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions von Miceli, Giacomo, de Gironcoli, Stefano, Pasquarello, Alfredo

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Nonempirical hybrid functionals for band gaps and polaronic distortions in solids von Miceli, Giacomo, Chen, Wei, Reshetnyak, Igor, Pasquarello, Alfredo

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Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations von Sosso, Gabriele C., Miceli, Giacomo, Caravati, Sebastiano, Giberti, Federico, Behler, Jörg, Bernasconi, Marco

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Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets von Miceli, Giacomo, Hutter, Jürg, Pasquarello, Alfredo

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Band alignment and chemical bonding at the GaAs/Al2O3 interface: A hybrid functional study von Colleoni, Davide, Miceli, Giacomo, Pasquarello, Alfredo

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Migration of Mg and other interstitial metal dopants in GaN von Miceli, Giacomo, Pasquarello, Alfredo

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Oxygen DX center in In0.17Al0.83N: Nonradiative recombination and persistent photoconductivity von Meli, Rocco, Miceli, Giacomo, Pasquarello, Alfredo

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Self-compensation due to point defects in Mg-doped GaN von Miceli, Giacomo, Pasquarello, Alfredo

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Neural network interatomic potential for the phase change material GeTe von Sosso, Gabriele C., Miceli, Giacomo, Caravati, Sebastiano, Behler, Jörg, Bernasconi, Marco

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Electronic Levels of Excess Electrons in Liquid Water von Ambrosio, Francesco, Miceli, Giacomo, Pasquarello, Alfredo

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Ab initio Electronic Structure of Liquid Water von Chen, Wei, Ambrosio, Francesco, Miceli, Giacomo, Pasquarello, Alfredo

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Fermi-level pinning through defects at GaAs/oxide interfaces: A density functional study von Colleoni, Davide, Miceli, Giacomo, Pasquarello, Alfredo

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Accurate determination of charge transition levels of the As-As dimer defect at GaAs/oxide interfaces through hybrid functionals von Miceli, Giacomo, Pasquarello, Alfredo

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Defect levels at GaAs/Al2O3 interfaces: As–As dimer vs. Ga dangling bond von Miceli, Giacomo, Pasquarello, Alfredo

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Migration of Mg and other interstitial metal dopants in GaN (Phys. Status Solidi RRL 7/2017) von Miceli, Giacomo, Pasquarello, Alfredo

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Origin of Fermi-level pinning at GaAs surfaces and interfaces von Colleoni, Davide, Miceli, Giacomo, Pasquarello, Alfredo

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Nonempirical dielectric-dependent hybrid functional with range separation for semiconductors and insulators von Chen, Wei, Miceli, Giacomo, Rignanese, Gian-Marco, Pasquarello, Alfredo

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