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	Pour les 31 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Wavelet-Based Density Functional Theory on Massively Parallel Hybrid Architectures Luigi Genovese , Brice Videau , Damien Caliste , Jean-François Méhaut , Stefan Goedecker , et al. Ross Walker. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics, Wiley-Blackwell, 2016, 1118661788 Chapitre d'ouvrage hal-01239245v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimizing 3D Convolutions for Wavelet Transforms on CPUs with SSE Units and GPUs Brice Videau , Vania Marangozova-Martin , Luigi Genovese , Thierry Deutsch Proceedings of the 19th Euro-Par International Conference, 2013, Aachen, Germany Communication dans un congrès hal-00953118v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations Alex Willand , Yaroslav Kvashnin , Luigi Genovese , Álvaro Vázquez-Mayagoitia , Arpan Krishna Deb , et al. Journal of Chemical Physics, 2013, 138 (10), pp.104109. ⟨10.1063/1.4793260⟩ Article dans une revue hal-02072703v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Revisiting the domain model for lithium intercalated graphite Sridevi Krishnan , Gilles Brenet , Eduardo Machado-Charry , Damien Caliste , Luigi Genovese , et al. Applied Physics Letters, 2013, 103 (25), pp.251904. ⟨10.1063/1.4850877⟩ Article dans une revue hal-02072710v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		SGPU 2: a runtime system for using of large applications on clusters of hybrid nodes Matthieu Ospici , Dimitri Komatitsch , Jean-François Mehaut , Thierry Deutsch Second Workshop on Hybrid Multi-core Computing, held in conjunction with HiPC 2011, 2011, Bangalore, India. pp.1-8 Communication dans un congrès hal-00788789v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Daubechies wavelets as a basis set for density functional pseudopotential calculations Luigi Genovese , Alexey Neelov , Stefan Goedecker , Thierry Deutsch , Seyed Alireza Ghasemi , et al. Journal of Chemical Physics, 2008, 129 (1), pp.014109. ⟨10.1063/1.2949547⟩ Article dans une revue hal-02194904v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Daubechies Wavelets for Linear Scaling Density Functional Theory Stephan Mohr , Laura E. Ratcliff , Paul Boulanger , Luigi Genovese , Damien Caliste , et al. Journal of Chemical Physics, 2014, 140 (20), pp.204110. ⟨10.1063/1.4871876⟩ Article dans une revue hal-01334186v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems Thierry Deutsch , Stefan Goedecker Journal of Chemical Physics, 2004, 120 (21), pp.9911-9917. ⟨10.1063/1.1724816⟩ Article dans une revue hal-02194922v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Laura E. Ratcliff , Luca Grisanti , Luigi Genovese , Thierry Deutsch , Tobias Neumann , et al. Journal of Chemical Theory and Computation, 2015, 11 (5), pp.2077-2086. ⟨10.1021/acs.jctc.5b00057⟩ Article dans une revue hal-01616553v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Wavelet-based Density Functional Theory Calculation on Massive Parallel Hybrid Architectures Luigi Genovese , Matthieu Ospici , Brice Videau , Thierry Deutsch , Jean-François Mehaut Hwu, Wen-Wei W. GPU Computing Gems, Morgan Kaufmann, 2011, 9780123849885 Chapitre d'ouvrage hal-00788804v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane Miquel Huix-Rotllant , Bhaarathi Natarajan , Andrei Ipatov , C. Muhavini Wawire , Thierry Deutsch , et al. Physical Chemistry Chemical Physics, 2010, 12 (39), ⟨10.1039/C0CP00273A⟩ Article dans une revue istex hal-01657927v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		BOAST: A metaprogramming framework to produce portable and efficient computing kernels for HPC applications Brice Videau , Kevin Pouget , Luigi Genovese , Thierry Deutsch , Dimitri Komatitsch , et al. International Journal of High Performance Computing Applications, 2018, 32 (1), pp.28-44. ⟨10.1177/1094342017718068⟩ Article dans une revue hal-01620778v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Efficient and accurate three-dimensional Poisson solver for surface problems Luigi Genovese , Thierry Deutsch , Stefan Goedecker Journal of Chemical Physics, 2007, 127 (5), pp.054704. ⟨10.1063/1.2754685⟩ Article dans une revue hal-02194941v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimizing 3D Convolutions for Wavelet Transforms on CPUs with SSE Units and GPUs Brice Videau , Vania Marangozova-Martin , Luigi Genovese , Thierry Deutsch [Research Report] RR-LIG-032, 2013 Rapport hal-00953056v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reproducibility in density functional theory calculations of solids Kurt Lejaeghere , Gustav Bihlmayer , Torbjoern Bjoerkman , Peter Blaha , Stefan Bluegel , et al. Science, 2016, 351 (6280), pp.1415-U81. ⟨10.1126/science.aad3000⟩ Article dans une revue cea-01849842v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Many-body Green's function study of coumarins for dye-sensitized solar cells Carina Faber , Ivan Duchemin , Thierry Deutsch , Xavier Blase Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86, pp.155315. ⟨10.1103/PhysRevB.86.155315⟩ Article dans une revue hal-00835051v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Exploitation et partage de GPU dans des grappes de calcul hybride Matthieu Ospici , Luigi Genovese , Thierry Deutsch Rencontres Francophones du Parallélisme (RenPar), 2009, Toulouse, France Communication dans un congrès hal-00788933v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate complex scaling of three dimensional numerical potentials Alessandro Cerioni , Luigi Genovese , Ivan Duchemin , Thierry Deutsch Journal of Chemical Physics, 2013, 138 (20), pp.204111. ⟨10.1063/1.4807495⟩ Article dans une revue hal-02072694v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Organizing Software Growth and Distributed Development: The Case of Abinit Yann Pouillon , Jean-Michel Beuken , Thierry Deutsch , Marc Torrent , Xavier Gonze Computing in Science and Engineering, 2011, 13 (1), pp.62-69. ⟨10.1109/MCSE.2011.13⟩ Article dans une revue hal-02072715v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Instrumental Data Management and Scientific Workflow Execution: the CEA case study Francieli Zanon Boito , Jean-François Méhaut , Thierry Deutsch , Brice Videau , Frédéric Desprez IPDPSW 2019 - International Parallel and Distributed Processing Symposium Workshops, May 2019, Rio de Janeiro, Brazil. pp.850-857, ⟨10.1109/IPDPSW.2019.00139⟩ Communication dans un congrès hal-02076963v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Corrigendum to “Wavelet-based linear-response time-dependent density-functional theory: Excited-states modeling of fluorescent compounds with UV–vis spectra calculations” [Chem. Phys. 402 (2012) 29] Bhaarathi Natarajan , Luigi Genovese , Thierry Deutsch , Mark E. Casida Chemical Physics, 2014, 436-437, pp.63 - 64. ⟨10.1016/j.chemphys.2014.01.001⟩ Article dans une revue hal-01650976v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Daubechies Wavelets for High Performance Electronice Structure Calculations: the BigDFT Project Luigi Genovese , Brice Videau , Matthieu Ospici , Thierry Deutsch , Stefan Godecker , et al. Comptes rendus hebdomadaires des séances de l'Académie des sciences, 2011, 339, pp.149-164. ⟨10.1016/j.crme.2010.12.003⟩ Article dans une revue hal-00788765v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory Carina Faber , Ivan Duchemin , Thierry Deutsch , Claudio Attaccalite , Valerio Olevano , et al. Journal of Materials Science, 2012, 47 (21), pp.7472. ⟨10.1007/s10853-012-6401-7⟩ Article dans une revue hal-00730389v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accurate and efficient linear scaling DFT calculations with universal applicability Stephan Mohr , Laura E. Ratcliff , Luigi Genovese , Damien Caliste , Paul Boulanger , et al. Physical Chemistry Chemical Physics, 2015, 17 (47), pp.31360-31370. ⟨10.1039/c5cp00437c⟩ Article dans une revue hal-01616550v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fragment approach to constrained density functional theory calculations using Daubechies wavelets Laura E. Ratcliff , Luigi Genovese , Stephan Mohr , Thierry Deutsch Journal of Chemical Physics, 2015, 142 (23), pp.234105. ⟨10.1063/1.4922378⟩ Article dans une revue hal-01616555v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations Luigi Genovese , Thierry Deutsch Physical Chemistry Chemical Physics, 2015, 17 (47), pp.31582-31591. ⟨10.1039/c5cp01236h⟩ Article dans une revue hal-01593310v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Wavelets for electronic structure calculations Thierry Deutsch , L. Genovese École thématique de la Société Française de la Neutronique, 2011, 12, pp.33-76. ⟨10.1051/sfn/201112004⟩ Article dans une revue hal-02194926v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Efficient solution of Poisson’s equation with free boundary conditions Luigi Genovese , Thierry Deutsch , Alexey Neelov , Stefan Goedecker , Gregory Beylkin Journal of Chemical Physics, 2006, 125 (7), pp.074105. ⟨10.1063/1.2335442⟩ Article dans une revue hal-02194945v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Oxygen in silicon: Switch in the diffusion-mediated mechanism Dilyara Timerkaeva , Damien Caliste , Thierry Deutsch , Pascal Pochet Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (19), ⟨10.1103/PhysRevB.96.195306⟩ Article dans une revue hal-02072623v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Density Functional Theory Calculation on many-cores Hybrid CPU-GPU architectures Luigi Genovese , Matthieu Ospici , Thierry Deutsch , Jean-François Mehaut , A. Neelov , et al. Journal of Chemical Physics, 2009, 131, pp.034103. ⟨10.1063/1.3166140⟩ Article dans une revue hal-00788907v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Wavelet-Based Density Functional Theory on Massively Parallel Hybrid Architectures

Optimizing 3D Convolutions for Wavelet Transforms on CPUs with SSE Units and GPUs

Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations

Revisiting the domain model for lithium intercalated graphite

SGPU 2: a runtime system for using of large applications on clusters of hybrid nodes

Daubechies wavelets as a basis set for density functional pseudopotential calculations

Daubechies Wavelets for Linear Scaling Density Functional Theory

Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems

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

Wavelet-based Density Functional Theory Calculation on Massive Parallel Hybrid Architectures

Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane

BOAST: A metaprogramming framework to produce portable and efficient computing kernels for HPC applications

Efficient and accurate three-dimensional Poisson solver for surface problems

Optimizing 3D Convolutions for Wavelet Transforms on CPUs with SSE Units and GPUs

Reproducibility in density functional theory calculations of solids

Many-body Green's function study of coumarins for dye-sensitized solar cells

Exploitation et partage de GPU dans des grappes de calcul hybride

Accurate complex scaling of three dimensional numerical potentials

Organizing Software Growth and Distributed Development: The Case of Abinit

Instrumental Data Management and Scientific Workflow Execution: the CEA case study

Corrigendum to “Wavelet-based linear-response time-dependent density-functional theory: Excited-states modeling of fluorescent compounds with UV–vis spectra calculations” [Chem. Phys. 402 (2012) 29]

Daubechies Wavelets for High Performance Electronice Structure Calculations: the BigDFT Project

Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

Accurate and efficient linear scaling DFT calculations with universal applicability

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations

Wavelets for electronic structure calculations

Efficient solution of Poisson’s equation with free boundary conditions

Oxygen in silicon: Switch in the diffusion-mediated mechanism

Density Functional Theory Calculation on many-cores Hybrid CPU-GPU architectures