Xavier Gonze

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Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainVerifierad e-postadress på uclouvain.be
Matteo GiantomassiUniversité catholique de LouvainVerifierad e-postadress på uclouvain.be
Matthieu VerstraeteProfessor of Physics, University of Liege, BelgiumVerifierad e-postadress på uliege.be
Masayoshi MikamiPrincipal Scientist, Science & Innovation Center, Mitsubishi Chemical CorporationVerifierad e-postadress på m-chemical.co.jp
Razvan CaracasInstitut de Physique du Globe de Paris, CNRS, Université Paris Cité, and PHAB University of OsloVerifierad e-postadress på ipgp.fr
Samuel PoncéChercheur qualifié F.R.S.-FNRS / Professeur UCLouvainVerifierad e-postadress på uclouvain.be
Douglas AllanGlass Research, Corning IncorporatedVerifierad e-postadress på corning.com
Bertrand PatrickProfesseur émérite, Université catholique de LouvainVerifierad e-postadress på uclouvain.be
Arnaud DelcorteDirecteur de Recherches du FNRS, Université catholique de LouvainVerifierad e-postadress på uclouvain.be
Igor WoiciechowskiAlderson-Broaddus CollegeVerifierad e-postadress på ab.edu
Micael J. T. OliveiraMax Planck Institute for the Structure and Dynamics of MatterVerifierad e-postadress på mpsd.mpg.de
Jacques GhijsenUniversité de NamurVerifierad e-postadress på fundp.ac.be
Barbara GarrisonPenn State UniversityVerifierad e-postadress på psu.edu
J. W. ZwanzigerDalhousieVerifierad e-postadress på dal.ca
Dirk LamoenEMAT, Universiteit AntwerpenVerifierad e-postadress på uantwerpen.be
Oscar Antonio Restrepo GutiérrezPh.DVerifierad e-postadress på udea.edu.co

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Xavier Gonze

Professor of Computational Material Science (UCLouvain, Belgium)

Verifierad e-postadress på uclouvain.be - Startsida

Density Functional Theory Electron-vibration interaction Electronic Structure and optical properties of materials


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
First-principles computation of material properties: the ABINIT software project X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ... Computational Materials Science 25 (3), 478-492, 2002	3721	2002
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory X Gonze, C Lee Physical Review B 55 (16), 10355, 1997	3324	1997
ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ... Computer Physics Communications 180 (12), 2582-2615, 2009	3035	2009
A brief introduction to the ABINIT software package X Gonze Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005	1574	2005
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016	1402*	2016
First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm X Gonze Physical Review B 55 (16), 10337, 1997	1279	1997
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ... Computer Physics Communications 226, 39-54, 2018	1236	2018
Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ... Computer Physics Communications 205, 106-131, 2016	793	2016
Identification and design principles of low hole effective mass p-type transparent conducting oxides G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze Nature communications 4 (1), 2292, 2013	724	2013
Adiabatic density-functional perturbation theory X Gonze Physical Review A 52 (2), 1096, 1995	715	1995
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure M Torrent, F Jollet, F Bottin, G Zérah, X Gonze Computational Materials Science 42 (2), 337-351, 2008	655	2008
Dynamical atomic charges: The case of compounds P Ghosez, JP Michenaud, X Gonze Physical Review B 58 (10), 6224, 1998	647	1998
Analysis of separable potentials X Gonze, R Stumpf, M Scheffler Physical Review B 44 (16), 8503, 1991	628	1991
Analysis of separable potentials X Gonze, R Stumpf, M Scheffler Physical Review B 44 (16), 8503, 1991	622	1991
Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory X Gonze, DC Allan, MP Teter Physical Review Letters 68 (24), 3603, 1992	525	1992
Energetics of negatively curved graphitic carbon T Lenosky, X Gonze, M Teter, V Elser Nature 355 (6358), 333-335, 1992	502	1992
The ABINIT project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ... Computer Physics Communications 248, 107042, 2020	483	2020
Density-functional approach to nonlinear-response coefficients of solids X Gonze, JP Vigneron Physical Review B 39 (18), 13120, 1989	483	1989
Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series CJ Umrigar, X Gonze Physical Review A 50 (5), 3827, 1994	441	1994
Perturbation expansion of variational principles at arbitrary order X Gonze Physical Review A 52 (2), 1086, 1995	418	1995

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