Theo dõi
Alfredo Pasquarello
Alfredo Pasquarello
Professor of Condensed Matter Physics, EPFL
Email được xác minh tại epfl.ch - Trang chủ
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
QUANTUM ESPRESSO: a modular and open-source software project for quantumsimulations of materials
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
311562009
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
16961993
Identification of Raman defect lines as signatures of ring structures in vitreous silica
A Pasquarello, R Car
Physical Review Letters 80 (23), 5145, 1998
5531998
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
5332012
Accurate theory of excitons in GaAs-As quantum wells
LC Andreani, A Pasquarello
Physical Review B 42 (14), 8928, 1990
4741990
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
4511992
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
4492001
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
4432018
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
4372001
Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field
P Umari, A Pasquarello
Physical Review Letters 89 (15), 157602, 2002
4282002
Fully unconstrained approach to noncollinear magnetism: application to small Fe clusters
T Oda, A Pasquarello, R Car
Physical review letters 80 (16), 3622, 1998
3631998
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
3592008
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
3491995
Defect levels through hybrid density functionals: Insights and applications
A Alkauskas, P Broqvist, A Pasquarello
physica status solidi (b) 248 (4), 775-789, 2011
3282011
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
3121996
Interface structure between silicon and its oxide by first-principles molecular dynamics
A Pasquarello, MS Hybertsen, R Car
Nature 396 (6706), 58-60, 1998
3091998
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
2991987
First-principles codes for computational crystallography in the Quantum-ESPRESSO package
S Scandolo, P Giannozzi, C Cavazzoni, S de Gironcoli, A Pasquarello, ...
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 574-579, 2005
2842005
Effect of metal elements in catalytic growth of carbon nanotubes
OV Yazyev, A Pasquarello
Physical review letters 100 (15), 156102, 2008
2792008
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
2752008
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