Alfredo Pasquarello
Alfredo Pasquarello
Professor of Condensed Matter Physics, EPFL
Verified email at - Homepage
Cited by
Cited by
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
K Laasonen, A Pasquarello, R Car, C Lee, D Vanderbilt
Physical Review B 47 (16), 10142, 1993
Identification of Raman defect lines as signatures of ring structures in vitreous silica
A Pasquarello, R Car
Physical Review Letters 80 (23), 5145, 1998
Finite-size supercell correction schemes for charged defect calculations
HP Komsa, TT Rantala, A Pasquarello
Physical Review B—Condensed Matter and Materials Physics 86 (4), 045112, 2012
Accurate theory of excitons in GaAs-As quantum wells
LC Andreani, A Pasquarello
Physical Review B 42 (14), 8928, 1990
Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K
A Pasquarello, K Laasonen, R Car, C Lee, D Vanderbilt
Physical review letters 69 (13), 1982, 1992
hybridization ratio in amorphous carbon from C core-level shifts: X-ray photoelectron spectroscopy and first-principles calculation
R Haerle, E Riedo, A Pasquarello, A Baldereschi
Physical Review B 65 (4), 045101, 2001
First solvation shell of the Cu (II) aqua ion: evidence for fivefold coordination
A Pasquarello, I Petri, PS Salmon, O Parisel, R Car, É Tóth, DH Powell, ...
Science 291 (5505), 856-859, 2001
Organic cathode for aqueous Zn-ion batteries: taming a unique phase evolution toward stable electrochemical cycling
D Kundu, P Oberholzer, C Glaros, A Bouzid, E Tervoort, A Pasquarello, ...
Chemistry of materials 30 (11), 3874-3881, 2018
Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field
P Umari, A Pasquarello
Physical Review Letters 89 (15), 157602, 2002
Fully unconstrained approach to noncollinear magnetism: application to small Fe clusters
T Oda, A Pasquarello, R Car
Physical review letters 80 (16), 3622, 1998
Defect energy levels in density functional calculations: Alignment and band gap problem
A Alkauskas, P Broqvist, A Pasquarello
Physical review letters 101 (4), 046405, 2008
Structural and Electronic Properties of Liquid and Amorphous Si: An Ab Initio Molecular Dynamics Study
J Sarnthein, A Pasquarello, R Car
Physical review letters 74 (23), 4682, 1995
Defect levels through hybrid density functionals: Insights and applications
A Alkauskas, P Broqvist, A Pasquarello
physica status solidi (b) 248 (4), 775-789, 2011
Interface structure between silicon and its oxide by first-principles molecular dynamics
A Pasquarello, MS Hybertsen, R Car
Nature 396 (6706), 58-60, 1998
Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids
A Dal Corso, A Pasquarello, A Baldereschi, R Car
Physical Review B 53 (3), 1180, 1996
Hole subbands in strained GaAs-As quantum wells: Exact solution of the effective-mass equation
LC Andreani, A Pasquarello, F Bassani
Physical Review B 36 (11), 5887, 1987
Effect of metal elements in catalytic growth of carbon nanotubes
OV Yazyev, A Pasquarello
Physical review letters 100 (15), 156102, 2008
Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations
A Alkauskas, P Broqvist, F Devynck, A Pasquarello
Physical review letters 101 (10), 106802, 2008
Theory of Si 2p core-level shifts at the Si(001)- interface
A Pasquarello, MS Hybertsen, R Car
Physical Review B 53 (16), 10942, 1996
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