Damien Caliste
Damien Caliste
CEA Grenoble, INAC, MEM, L_Sim
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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
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
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
Daubechies wavelets as a basis set for density functional pseudopotential calculations
L Genovese, A Neelov, S Goedecker, T Deutsch, SA Ghasemi, A Willand, ...
The Journal of chemical physics 129 (1), 2008
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
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
Accurate and efficient linear scaling DFT calculations with universal applicability
S Mohr, LE Ratcliff, L Genovese, D Caliste, P Boulanger, S Goedecker, ...
Physical Chemistry Chemical Physics 17 (47), 31360-31370, 2015
Daubechies wavelets for linear scaling density functional theory
S Mohr, LE Ratcliff, P Boulanger, L Genovese, D Caliste, T Deutsch, ...
The Journal of chemical physics 140 (20), 2014
Single artificial atoms in silicon emitting at telecom wavelengths
W Redjem, A Durand, T Herzig, A Benali, S Pezzagna, J Meijer, ...
Nature Electronics 3 (12), 738-743, 2020
Optimized energy landscape exploration using the ab initio based activation-relaxation technique
E Machado-Charry, LK Béland, D Caliste, L Genovese, T Deutsch, ...
The Journal of chemical physics 135 (3), 2011
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
LE Ratcliff, W Dawson, G Fisicaro, D Caliste, S Mohr, A Degomme, ...
The Journal of chemical physics 152 (19), 2020
Impact of isovalent doping on the trapping of vacancy and interstitial related defects in Si
EN Sgourou, D Timerkaeva, CA Londos, D Aliprantis, A Chroneos, ...
Journal of Applied Physics 113 (11), 2013
Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study
E Arras, D Caliste, T Deutsch, F Lançon, P Pochet
Physical Review B 83 (17), 174103, 2011
Vacancy-assisted diffusion in silicon: A three-temperature-regime model
D Caliste, P Pochet
Physical review letters 97 (13), 135901, 2006
Toward the III–V/Si co-integration by controlling the biatomic steps on hydrogenated Si (001)
M Martin, D Caliste, R Cipro, R Alcotte, J Moeyaert, S David, F Bassani, ...
Applied Physics Letters 109 (25), 2016
Synchrotron Bragg diffraction imaging characterization of synthetic diamond crystals for optical and electronic power device applications
TN Tran Thi, J Morse, D Caliste, B Fernandez, D Eon, J Härtwig, C Barbay, ...
Journal of Applied Crystallography 50 (2), 561-569, 2017
Revisiting the domain model for lithium intercalated graphite
S Krishnan, G Brenet, E Machado-Charry, D Caliste, L Genovese, ...
Applied Physics Letters 103 (25), 2013
First-principles prediction of stable SiC cage structures and their synthesis pathways
P Pochet, L Genovese, D Caliste, I Rousseau, S Goedecker, T Deutsch
Physical Review B 82 (3), 035431, 2010
Germanium diffusion mechanisms in silicon from first principles
D Caliste, P Pochet, T Deutsch, F Lançon
Physical Review B 75 (12), 125203, 2007
Low-energy boron fullerenes: Role of disorder and potential synthesis pathways
P Pochet, L Genovese, S De, S Goedecker, D Caliste, SA Ghasemi, K Bao, ...
Physical Review B 83 (8), 081403, 2011
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