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Xavier Gonze

Xavier Gonze

Université Catholique de Louvain - Louvain-la-Neuve / Belgium
Natural Sciences / Mathematical Sciences
AD Scientific Index ID: 1401047
Catholic University of Louvain
person_outline Xavier Gonze's MOST POPULAR ARTICLES
1-) Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory Physical Review B 55 (16), 10355, 1997
2-) First-principles computation of material properties: the ABINIT software project Computational Materials Science 25 (3), 478-492, 2002
3-) ABINIT: First-principles approach to material and nanosystem properties Computer Physics Communications 180 (12), 2582-2615, 2009
4-) The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table Computer Physics Communications 226, 39-54, 2018
5-) Reproducibility in density functional theory calculations of solids Science 351 (6280), aad3000, 2016