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Thierry Deutsch

communaute universite grenoble alpes

28H-index
88Paper Count
7.8KCitation Count
Published Papers 28
Publication Date
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Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-20
err73
errOAAI
errRatcliff, Laura; Dawson, William; Fisicaro, Giuseppe; Caliste, Damien; Mohr, Stephan; Degomme, Augustin; Videau, Brice; Cristiglio, Viviana; Stella, Martina; D'Alessandro, Marco; Goedecker, Stefan; Nakajima, Takahito; Deutsch, Thierry; Genovese, Luigi
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Oxygen in silicon: Switch in the diffusion-mediated mechanism
errPHYSICAL REVIEW B
IF3.7
err2017-11-21
err4
PREAI
errTimerkaeva, Dilyara; Caliste, Damien; Deutsch, Thierry; Pochet, Pascal
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BOAST: A metaprogramming framework to produce portable and efficient computing kernels for HPC applications
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2017-08-04
err7
errOAAI
errVideau, Brice; Pouget, Kevin; Genovese, Luigi; Deutsch, Thierry; Komatitsch, Dimitri; Desprez, Frederic; Mehaut, Jean-Francois
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Challenges in large scale quantum mechanical calculations
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2016-11-07
err117
errOAAI
errRatcliff, Laura E.; Mohr, Stephan; Huhs, Georg; Deutsch, Thierry; Masella, Michel; Genovese, Luigi
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Fragment approach to constrained density functional theory calculations using Daubechies wavelets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-06-16
err17
errOAAI
errRatcliff, Laura E.; Genovese, Luigi; Mohr, Stephan; Deutsch, Thierry
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Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-04-28
err41
PREAI
errRatcliff, Laura E.; Grisanti, Luca; Genovese, Luigi; Deutsch, Thierry; Neumann, Tobias; Danilov, Denis; Wenzel, Wolfgang; Beljonne, David; Cornil, Jerome
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Exploring approximations to the GW self-energy ionic gradients
errPHYSICAL REVIEW B
IF3.7
err2015-04-08
err34
errOAAI
errFaber, C.; Boulanger, P.; Attaccalite, C.; Cannuccia, E.; Duchemin, I.; Deutsch, T.; Blase, X.
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Daubechies wavelets for linear scaling density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-05-28
err85
errOAAI
errMohr, Stephan; Ratcliff, Laura E.; Boulanger, Paul; Genovese, Luigi; Caliste, Damien; Deutsch, Thierry; Goedecker, Stefan
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Revisiting the domain model for lithium intercalated graphite
errAPPLIED PHYSICS LETTERS
IF3.6
err2013-12-16
err32
errOAAI
errKrishnan, Sridevi; Brenet, Gilles; Machado-Charry, Eduardo; Caliste, Damien; Genovese, Luigi; Deutsch, Thierry; Pochet, Pascal
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errSave
Accurate complex scaling of three dimensional numerical potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-05-30
err6
errOAAI
errCerioni, Alessandro; Genovese, Luigi; Duchemin, Ivan; Deutsch, Thierry
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Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-03-12
err104
errOAAI
errWilland, Alex; Kvashnin, Yaroslav O.; Genovese, Luigi; Vazquez-Mayagoitia, Alvaro; Deb, Arpan Krishna; Sadeghi, Ali; Deutsch, Thierry; Goedecker, Stefan
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Many-body Green's function study of coumarins for dye-sensitized solar cells
errPHYSICAL REVIEW B
IF3.7
err2012-10-22
err49
errOAAI
errFaber, Carina; Duchemin, Ivan; Deutsch, Thierry; Blase, Xavier
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errSave
Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
errJOURNAL OF MATERIALS SCIENCE
IF3.9
err2012-03-27
err37
errOAAI
errFaber, Carina; Duchemin, Ivan; Deutsch, Thierry; Attaccalite, Claudio; Olevano, Valerio; Blase, Xavier
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errSave
Optimized energy landscape exploration using the ab initio based activation-relaxation technique
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-07-18
err89
PREAI
errMachado-Charry, Eduardo; Beland, Laurent Karim; Caliste, Damien; Genovese, Luigi; Deutsch, Thierry; Mousseau, Normand; Pochet, Pascal
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Phase diagram, structure, and magnetic properties of the Ge-Mn system: A first-principles study
errPHYSICAL REVIEW B
IF3.7
err2011-05-06
err52
PREAI
errArras, Emmanuel; Caliste, Damien; Deutsch, Thierry; Lancon, Frederic; Pochet, Pascal
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errSave
Low-energy boron fullerenes: Role of disorder and potential synthesis pathways
errPHYSICAL REVIEW B
IF3.7
err2011-02-08
err38
PREAI
errPochet, Pascal; Genovese, Luigi; De, Sandip; Goedecker, Stefan; Caliste, Damien; Ghasemi, S. Alireza; Bao, Kuo; Deutsch, Thierry
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errSave
First-principles prediction of stable SiC cage structures and their synthesis pathways
errPHYSICAL REVIEW B
IF3.7
err2010-07-21
err40
PREAI
errPochet, Pascal; Genovese, Luigi; Caliste, Damien; Rousseau, Ian; Goedecker, Stefan; Deutsch, Thierry
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errSave
First principles prediction of the metastability of the Ge2Mn phase and its synthesis pathways
errAPPLIED PHYSICS LETTERS
IF3.6
err2010-06-08
err11
PREAI
errArras, E.; Slipukhina, I.; Torrent, M.; Caliste, D.; Deutsch, T.; Pochet, P.
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errSave
Structural metastability of endohedral silicon fullerenes
errPHYSICAL REVIEW B
IF3.7
err2010-05-19
err37
errOAAI
errWilland, Alex; Gramzow, Matthias; Ghasemi, S. Alireza; Genovese, Luigi; Deutsch, Thierry; Reuter, Karsten; Goedecker, Stefan
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errSave
Ab initio calculation of the binding energy of impurities in semiconductors: Application to Si nanowires
errPHYSICAL REVIEW B
IF3.7
err2010-04-02
err29
errOAAI
errNiquet, Y. M.; Genovese, L.; Delerue, C.; Deutsch, T.
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Research Directions

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Co-authors
Cooperation Journals
D
David Beljonne
H-index: 109 · Papers: 837
K
Karsten Reuter
H-index: 85 · Papers: 547
J
Jérôme Cornil
H-index: 81 · Papers: 747
D
D. R. Hamann
H-index: 79 · Papers: 218
X
Xavier Gonze
H-index: 77 · Papers: 437
View more