Biographie

Alfredo Pasquarello effectue ses études en physique à l

ENSEIGNEMENTS

Alfredo Pasquarello enseigne le cours de  Computer simulation of physical systems I & II à la Section de physique et le cours de  Physique générale III & IV aux Sections de génie mécanique et microtechnique.

RECHERCHE

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GROUPE DE RECHERCHE

Membres de la Chaire de simulation à l

PUBLICATIONS

Interface structure between silicon and its oxide by first-principles molecular dynamics, A. Pasquarello, M. S. Hybertsen, and R. Car, Nature 396, 58 (1998). Ring currents in icosahedral C60, A. Pasquarello, M. Schlueter, and R. C. Haddon, Science 257, 1660 (1992). Origin of the high-frequency doublet in the vibrational spectrum of vitreous SiO2, J. Sarnthein, A. Pasquarello, and R. Car, Science 275, 1925 (1997). First solvation shell of the Cu(II) aqua ion: Evidence for fivefold coordination, A. Pasquarello, I. Petri, P. S. Salmon, O. Parisel, R. Car, E. Toth, D. H. Powell, H. E. Fischer, L. Helm, and A. E. Merbach, Science 291, 856 (2001). Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K, A. Pasquarello, K. Laasonen, R. Car, C. Lee, and D. Vanderbilt, Physical Review Letters 69, 1982 (1992). Si 2p core-level shifts at the Si(001)-SiO2 interface: a first-principles study, A. Pasquarello, M. S. Hybertsen and R. Car, Physical Review Letters 74, 1024 (1995). Identification of Raman defect lines as signatures of ring structures in vitreous silica, A. Pasquarello and R. Car, Physical Review Letters 80, 5154 (1998). Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials, K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, Physical Review B 47, 10142 (1993). Accurate theory of excitons in GaAs/GaAlAs quantum wells, L. C. Andreani and A. Pasquarello, Physical Review B 42, 8928 (1990). Liste complète de publications sur Infoscience (EPFL) et sur  ResearcherID. 

THESES

2003 Paolo Umari  Raman spectra of disordered oxides from first principles 2003 Angelo Bongiorno  Simulation of atomistic processes during silicon oxidation 2005 Feliciano Giustino  Infrared properties of the Si-SiO2 interface from first principles 2007 Luigi Giacomazzi  First principles vibrational spectra of tetrahedrally-bonded glasses: SiO2, GeO2, and GeSe2 2008 Fabien Devynck  First principles study of defects at the SiC/SiO2 interface through hybrid functionals 2012 Jan Felix Binder  Electronic and Structural Properties of the Ge/GeO2 Interface through Hybrid Functionals 2015 Davide Colleoni  Origin of Fermi-level pinning at GaAs/oxide interfaces through the hybrid functional study of defects