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Physical Review Letters|October 4, 2005
Fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectraP Umari, Alfredo PasquarelloPhysical Review Letters|December 13, 2006
Proton diffusion mechanism in amorphous SiO2Julien Godet, Alfredo PasquarelloPhysical Review Letters|September 30, 2022
Many-Body Self-Interaction and PolaronsStefano Falletta, Alfredo PasquarelloJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 7, 2015
First-principles determination of defect energy levels through hybrid density functionals and GWWei Chen, Alfredo PasquarelloPhysical Review Letters|October 9, 2002
Ab initio molecular dynamics in a finite homogeneous electric fieldP Umari, Alfredo PasquarelloPhysical Review Letters|November 22, 2002
Ab initio molecular dynamics investigation of the structure and the noncollinear magnetism in liquid oxygen: occurrence of O4 molecular unitsTatsuki Oda, Alfredo PasquarelloPhysical Review Letters|September 16, 2000
Dangling bond defects at Si-SiO2 interfaces: atomic structure of the P(b1) centerStirling, Pasquarello, Charlier, et al.The Journal of Chemical Physics|March 16, 2020
Oxygen evolution reaction: Bifunctional mechanism breaking the linear scaling relationshipPatrick Gono, Alfredo PasquarelloPhysical Chemistry Chemical Physics : PCCP|November 29, 2018
Reactivity and energy level of a localized hole in liquid waterFrancesco Ambrosio, Alfredo PasquarelloJournal of Physics. Condensed Matter : an Institute of Physics Journal|November 14, 2017
Electron trap states at InGaAs/oxide interfaces under inversion through constant Fermi-level ab initio molecular dynamicsAssil Bouzid, Alfredo PasquarelloPageof 25