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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
36982002
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
29832009
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
2023*2005
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
13522018
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
12852016
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
8182016
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
7402013
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
5452015
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
5252020
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 Íñiguez, P Ghosez
Physical Review B—Condensed Matter and Materials Physics 77 (16), 165107, 2008
4302008
First-principle studies of the lattice dynamics of crystals, and related properties
X Gonze, GM Rignanese, R Caracas
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 458-472, 2005
3512005
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
2392020
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
2232014
Electronic structure of carbon nanocones
JC Charlier, GM Rignanese
Physical Review Letters 86 (26), 5970, 2001
2162001
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
2102015
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
1952017
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
1841997
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
1832008
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
High-throughput density-functional perturbation theory phonons for inorganic materials
G Petretto, S Dwaraknath, H PC Miranda, D Winston, M Giantomassi, ...
Scientific data 5 (1), 1-12, 2018
1752018
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