| 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 | 3774 | 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 | 3535 | 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 | 3068 | 2009 |
| 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 | 1645 | 2018 |
| 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 | 1411 | 2016 |
| A brief introduction to the ABINIT software package X Gonze Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005 | 1301 | 2005 |
| 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 | 1265 | 1997 |
| Ghosez Ph., Veithen M., Raty J X Gonze, GM Rignanese, M Verstraete, JM Beuken, Y Pouillon, ... Y., Olevano V., Bruneval F., Reining L., Godby R., Onida G., Hamann DR, and …, 2005 | 940 | 2005 |
| 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 | 879 | 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 | 770 | 2013 |
| Adiabatic density-functional perturbation theory X Gonze Physical Review A 52 (2), 1096, 1995 | 762 | 1995 |
| Dynamical atomic charges: The case of compounds P Ghosez, JP Michenaud, X Gonze Physical Review B 58 (10), 6224, 1998 | 695 | 1998 |
| 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 | 691 | 2008 |
| Lee, C1: CAS: 528: DyaK2sXivFOlsbs% 3D: Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional … X Gonze Phys Rev B, 10355-10368, 1997 | 650 | 1997 |
| 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 | 640 | 2020 |
| Analysis of separable potentials X Gonze, R Stumpf, M Scheffler Physical Review B 44 (16), 8503, 1991 | 612 | 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 | 546 | 1992 |
| Energetics of negatively curved graphitic carbon T Lenosky, X Gonze, M Teter, V Elser Nature 355 (6358), 333-335, 1992 | 517 | 1992 |
| Density-functional approach to nonlinear-response coefficients of solids X Gonze, JP Vigneron Physical Review B 39 (18), 13120, 1989 | 507 | 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 | 448 | 1994 |
Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainVerified email at uclouvain.be
