Towards a parameter-free characterization of charge transfer via hopping: The case of tris(8-Hydroxyquinolato) aluminumSalomon R. BilleterAlessandro Curioniet al.2007Physical Review Letters
Anomalous behavior of the dielectric constant of hafnium silicates: A first principles studyCarlo A. PignedoliAlessandro Curioniet al.2007Physical Review Letters
Ab initio design of high-k dielectrics: LaxY 1-xAlO3Stephen A. ShevlinAlessandro Curioniet al.2005Physical Review Letters
Effects of nitridation on the characteristics of silicon dioxide: Dielectric and structural properties from ab initio calculationsDominik FischerAlessandro Curioniet al.2004Physical Review Letters
Density-Functional-Theory-Based Molecular Dynamics Study of 1, 3, 5-Trioxane and 1, 3-Dioxolane ProtolysisAlessandro CurioniWanda Andreoniet al.2002JACS
Thiols and disulfides on the Au(111) surface: The headgroup-gold interactionHenrik GrönbeckAlessandro Curioniet al.2000JACS
The chemistry of water on alumina surfaces: Reaction dynamics from first principlesKenneth C. HassWilliam F. Schneideret al.1998Science
Density-functional theory study of electronic and structural properties of doped polypyrrolesRenato ColleAlessandro Curioni1998JACS
Density functional theory-based molecular dynamics simulation of acid-catalyzed chemical reactions in liquid trioxaneAlessandro CurioniMichiel Spriket al.1997JACS