Damien Caliste
Damien Caliste
CEA Grenoble, INAC, MEM, L_Sim
Adresse e-mail validée de cea.fr
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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
25282009
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
753*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
4932016
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), 014109, 2008
3732008
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
2912012
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), 204110, 2014
1032014
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), 034102, 2011
882011
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
842015
M. oliveira, G. Onida, Y. Pouillon, T. Rangel, G
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. Verstaete, G. Zerah, J …, 2009
732009
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), 113506, 2013
642013
Vacancy-assisted diffusion in silicon: A three-temperature-regime model
D Caliste, P Pochet
Physical review letters 97 (13), 135901, 2006
562006
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
532011
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
392011
Germanium diffusion mechanisms in silicon from first principles
D Caliste, P Pochet, T Deutsch, F Lançon
Physical Review B 75 (12), 125203, 2007
392007
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
382010
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), 253103, 2016
292016
Revisiting the domain model for lithium intercalated graphite
S Krishnan, G Brenet, E Machado-Charry, D Caliste, L Genovese, ...
Applied Physics Letters 103 (25), 251904, 2013
292013
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
262017
Superglide at an internal incommensurate boundary
F Lançon, J Ye, D Caliste, T Radetic, AM Minor, U Dahmen
Nano letters 10 (2), 695-700, 2010
262010
A wavelet-based projector augmented-wave (PAW) method: Reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set
T Rangel, D Caliste, L Genovese, M Torrent
Computer Physics Communications 208, 1-8, 2016
192016
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