Gian-Marco Rignanese
Gian-Marco Rignanese
Directeur de Recherches F.R.S.-FNRS / Professeur UCLouvain
Verified email at uclouvain.be
TitleCited byYear
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
30482002
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
22332009
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 558-562, 2005
13032005
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
3922016
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, 2292, 2013
3502013
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
3032016
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
DI Bilc, R Orlando, R Shaltaf, GM Rignanese, J Íńiguez, P Ghosez
Physical Review B 77 (16), 165107, 2008
2832008
Electronic structure of carbon nanocones
JC Charlier, GM Rignanese
Physical Review Letters 86 (26), 5970, 2001
1802001
FireWorks: a dynamic workflow system designed for high‐throughput applications
A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ...
Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015
1652015
Band Offsets at the Interface from Many-Body Perturbation Theory
R Shaltaf, GM Rignanese, X Gonze, F Giustino, A Pasquarello
Physical review letters 100 (18), 186401, 2008
1582008
First-principles investigation of high- dielectrics: Comparison between the silicates and oxides of hafnium and zirconium
GM Rignanese, X Gonze, G Jun, K Cho, A Pasquarello
Physical Review B 69 (18), 184301, 2004
1512004
Room temperature Peierls distortion in small diameter nanotubes
D Connétable, GM Rignanese, JC Charlier, X Blase
Physical review letters 94 (1), 015503, 2005
1492005
Superconductivity in Doped s p 3 Semiconductors: The Case of the Clathrates
D Connétable, V Timoshevskii, B Masenelli, J Beille, J Marcus, B Barbara, ...
Physical review letters 91 (24), 247001, 2003
1392003
First-principles molecular-dynamics study of the (0001) surface
GM Rignanese, A De Vita, JC Charlier, X Gonze, R Car
Physical Review B 61 (19), 13250, 2000
1392000
v.; Speybroeck, VV; Wills, JM; Yates, JR; Zhang, G.-X.; Cottenier, S
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 6280, 2016
1292016
Nitrogen Incorporation at Interfaces: Relation between N Core-Level Shifts and Microscopic Structure
GM Rignanese, A Pasquarello, JC Charlier, X Gonze, R Car
Physical review letters 79 (25), 5174, 1997
1291997
First-principles study of dynamical and dielectric properties of tetragonal zirconia
GM Rignanese, F Detraux, X Gonze, A Pasquarello
Physical Review B 64 (13), 134301, 2001
1282001
Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states
DI Bilc, G Hautier, D Waroquiers, GM Rignanese, P Ghosez
Physical review letters 114 (13), 136601, 2015
1102015
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
1082018
Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
L He, F Liu, G Hautier, MJT Oliveira, MAL Marques, FD Vila, JJ Rehr, ...
Physical Review B 89 (6), 064305, 2014
1082014
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