Damien Caliste
Damien Caliste
CEA Grenoble, INAC, MEM, L_Sim
Verified email at cea.fr
TitleCited byYear
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
21172009
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Bj÷rkman, P Blaha, S BlŘgel, V Blum, ...
Science 351 (6280), aad3000, 2016
3422016
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
3112008
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
2642016
Crystal structure of cold compressed graphite
M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
2312012
v.; Speybroeck, VV; Wills, JM; Yates, JR; Zhang, G.-X.; Cottenier, S
K Lejaeghere, G Bihlmayer, T Bj÷rkman, P Blaha, S BlŘgel, V Blum, ...
Science 351, 6280, 2016
1132016
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
832014
Optimized energy landscape exploration using the ab initio based activation-relaxation technique
E Machado-Charry, LK BÚland, D Caliste, L Genovese, T Deutsch, ...
The Journal of chemical physics 135 (3), 034102, 2011
692011
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
552015
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
552013
Vacancy-assisted diffusion in silicon: A three-temperature-regime model
D Caliste, P Pochet
Physical review letters 97 (13), 135901, 2006
532006
Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study
E Arras, D Caliste, T Deutsch, F Lanšon, P Pochet
Physical Review B 83 (17), 174103, 2011
392011
Germanium diffusion mechanisms in silicon from first principles
D Caliste, P Pochet, T Deutsch, F Lanšon
Physical Review B 75 (12), 125203, 2007
382007
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
372011
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
342010
Superglide at an internal incommensurate boundary
F Lanšon, J Ye, D Caliste, T Radetic, AM Minor, U Dahmen
Nano letters 10 (2), 695-700, 2010
202010
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
182013
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
172016
Point defect diffusion in Si and SiGe revisited through atomistic simulations
P Pochet, D Caliste
Materials Science in Semiconductor Processing 15 (6), 675-690, 2012
162012
Vacancy-mediated diffusion in biaxially strained Si
D Caliste, KZ Rushchanskii, P Pochet
Applied Physics Letters 98 (3), 031908, 2011
152011
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Articles 1–20