Thierry Deutsch
Thierry Deutsch
Head of the L_Sim laboratory (CEA/UGA, INAC, Grenoble)
Verified email at cea.fr - Homepage
Title
Cited by
Cited by
Year
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
24722009
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
A Alavi, P Hu, T Deutsch, PL Silvestrelli, J Hutter
Physical Review Letters 80 (16), 3650, 1998
6461998
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
5712016
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
3652008
MJ vanSetten, V. Van Speybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier, Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ...
Science 351, 1415-U1481, 2016
2322016
First-principles calculations of the ideal cleavage energy of bulk niobium (111)/α-alumina (0001) interfaces
IG Batirev, A Alavi, MW Finnis, T Deutsch
Physical review letters 82 (7), 1510-1513, 1999
2071999
Efficient solution of Poisson's equation with free boundary conditions
L Genovese, T Deutsch, A Neelov, S Goedecker, G Beylkin
The Journal of Chemical Physics 125 (7), 074105, 2006
2062006
A fourfold coordinated point defect in silicon
S Goedecker, T Deutsch, L Billard
Physical review letters 88 (23), 235501, 2002
1492002
Efficient and accurate three dimensional Poisson solver for surface problems
L Genovese, T Deutsch, S Goedecker
The Journal of Chemical Physics 127 (5), 054704, 2007
1262007
Density functional theory calculation on many-cores hybrid CPU-GPU architectures
L Genovese, M Ospici, T Deutsch, JF Méhaut, A Neelov, S Goedecker
The Journal of Chemical Physics 131 (3), 034103, 2009
1232009
cpmd
J Hutter, A Alavi, T Deutsch, M Bernasconi, S Goedecker, D Marx, ...
MPI für Festkörperforschung and IBM Zurich Research Laboratory, Stuttgart 1995, 1995
1081995
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
1012014
Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane
M Huix-Rotllant, B Natarajan, A Ipatov, CM Wawire, T Deutsch, ...
Physical Chemistry Chemical Physics 12 (39), 12811-12825, 2010
912010
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
872011
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
812015
Short-range to long-range charge-transfer excitations in the zincbacteriochlorin-bacteriochlorin complex: a Bethe-Salpeter study
I Duchemin, T Deutsch, X Blase
Physical review letters 109 (16), 167801, 2012
812012
Quantitative analysis of the deformation and chemical profiles of strained multilayers
P Bayle, T Deutsch, B Gilles, F Lançon, A Marty, J Thibault
Ultramicroscopy 56 (1-3), 94-107, 1994
751994
Daubechies wavelets for high performance electronic structure calculations: The BigDFT project
L Genovese, B Videau, M Ospici, T Deutsch, S Goedecker, JF Méhaut
Comptes Rendus Mécanique 339 (2-3), 149-164, 2011
732011
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
Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations
A Willand, YO Kvashnin, L Genovese, Á Vázquez-Mayagoitia, AK Deb, ...
The Journal of chemical physics 138 (10), 104109, 2013
692013
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