Follow
Gian-Marco Rignanese
Gian-Marco Rignanese
Directeur de Recherches F.R.S.-FNRS / Professeur UCLouvain
Verified email at uclouvain.be - Homepage
Title
Cited by
Cited by
Year
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
37352002
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
30452009
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
15942005
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
1423*2016
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
12912018
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
8052016
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
7352013
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
5432015
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
5082020
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
4282008
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
2332020
Electronic structure of carbon nanocones
JC Charlier, GM Rignanese
Physical Review Letters 86 (26), 5970, 2001
2162001
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
2102014
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
2032015
An ab initio electronic transport database for inorganic materials
F Ricci, W Chen, U Aydemir, GJ Snyder, GM Rignanese, A Jain, G Hautier
Scientific data 4 (1), 1-13, 2017
1872017
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
1822008
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
1801997
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
1782000
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
1702003
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
1692004
The system can't perform the operation now. Try again later.
Articles 1–20