Alfredo Pasquarello

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Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Email yang diverifikasi di princeton.edu
Peter BroqvistSenior Lecturer, Uppsala UniversityEmail yang diverifikasi di kemi.uu.se
Audrius AlkauskasCenter for Physical Sciences and Technology (FTMC), Vilnius, LithuaniaEmail yang diverifikasi di ftmc.lt
Francesco AmbrosioÉcole polytechnique fédérale de LausanneEmail yang diverifikasi di epfl.ch
Paolo UmariUniversità degli Studi di PadovaEmail yang diverifikasi di unipd.it
Carlo MassobrioICubeEmail yang diverifikasi di cnrs.fr
Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainEmail yang diverifikasi di uclouvain.be
Giacomo MiceliEcole Polytechnique Fédérale de Lausanne (EPFL)Email yang diverifikasi di epfl.ch
Julia WiktorChalmers University of TechnologyEmail yang diverifikasi di chalmers.se
Mark S HybertsenSenior Physicist, Emeritus, Center for Functional Nanomaterials, Brookhaven National LaboratoryEmail yang diverifikasi di bnl.gov
Wei ChenUCLouvainEmail yang diverifikasi di uclouvain.be
Feliciano GiustinoMoncrief Chair of Quantum Materials Engineering, University of TexasEmail yang diverifikasi di oden.utexas.edu
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Email yang diverifikasi di uclouvain.be
Lucio Claudio AndreaniProfessor of Physics, University of Pavia, italyEmail yang diverifikasi di unipv.it
Hannu-Pekka KomsaUniversity of OuluEmail yang diverifikasi di oulu.fi
Bouzid AssilInstitut de Recherche sur les Céramique IRCER CNRS UMR 7315Email yang diverifikasi di unilim.fr
Oleg YazyevAssociate Professor of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), SwitzerlandEmail yang diverifikasi di epfl.ch
Dal Corso AndreaSISSAEmail yang diverifikasi di sissa.it
Zhendong Guo(郭振东）EPFLEmail yang diverifikasi di epfl.ch
luigi giacomazziCNR IOMEmail yang diverifikasi di inwind.it

Ikuti

Alfredo Pasquarello

Professor of Condensed Matter Physics, EPFL

Email yang diverifikasi di epfl.ch - Beranda

Computational Condensed Matter


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
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	30631	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	1688	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	548	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	528	2012
Accurate theory of excitons in GaAs-As quantum wells LC Andreani, A Pasquarello Physical Review B 42 (14), 8928, 1990	474	1990
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	451	2001
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	448	1992
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	441	2018
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	436	2001
Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field P Umari, A Pasquarello Physical Review Letters 89 (15), 157602, 2002	425	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	366	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	357	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	346	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	327	2011
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	309	1996
Interface structure between silicon and its oxide by first-principles molecular dynamics A Pasquarello, MS Hybertsen, R Car Nature 396 (6706), 58-60, 1998	306	1998
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	301	1987
Effect of metal elements in catalytic growth of carbon nanotubes OV Yazyev, A Pasquarello Physical review letters 100 (15), 156102, 2008	280	2008
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	280	2005
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	275	2008

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