Différences
Ci-dessous, les différences entre deux révisions de la page.
| Prochaine révision | Révision précédente | ||
| recherche:projets:cadenced [2013/03/18 14:30] – créée sbarends | recherche:projets:cadenced [2015/12/09 15:16] (Version actuelle) – ltaulell | ||
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| **Computer Assisted Discovery and Elucidation of Novel Catalysts for Economic Development of Saudi Arabia** | **Computer Assisted Discovery and Elucidation of Novel Catalysts for Economic Development of Saudi Arabia** | ||
| - | {{: | + | {{: |
| Contact: Philippe Sautet \\ | Contact: Philippe Sautet \\ | ||
| Philippe.Sautet [at] ens-lyon.fr \\ | Philippe.Sautet [at] ens-lyon.fr \\ | ||
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| ===== Research project ===== | ===== Research project ===== | ||
| - | {{: | + | {{: |
| In the 2009-2014 it will address one challenging target in chemistry/ | In the 2009-2014 it will address one challenging target in chemistry/ | ||
| photocatalysis using an approach combining computational and experimental methods to speed up the discovery process. In support of these two practical subprojects, | photocatalysis using an approach combining computational and experimental methods to speed up the discovery process. In support of these two practical subprojects, | ||
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| The goal of this subproject is to develop and optimize a hybrid computing system by coupling a high performance computer with graphic microprocessors (GPU) or accelerators such as CELL processor and then to develop and implement algorithms improving performances of the | The goal of this subproject is to develop and optimize a hybrid computing system by coupling a high performance computer with graphic microprocessors (GPU) or accelerators such as CELL processor and then to develop and implement algorithms improving performances of the | ||
| quantum calculation software code (software enhancement) running on this hybrid system. These developments should provide an expected gain from 5 to 10 times in computing speed for applications in catalysis. Once implemented in KAUST these improvements should provide users in KCRC with enhanced HPC resources necessary to deploy “Computer Assisted Discoveries” methodologies applied to catalysis and materials sciences. | quantum calculation software code (software enhancement) running on this hybrid system. These developments should provide an expected gain from 5 to 10 times in computing speed for applications in catalysis. Once implemented in KAUST these improvements should provide users in KCRC with enhanced HPC resources necessary to deploy “Computer Assisted Discoveries” methodologies applied to catalysis and materials sciences. | ||
| - | {{ : | + | {{ : |
| ===== References ===== | ===== References ===== | ||
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| - //QMX: a Versatile Environment for Hybrid Calculations Applied to Grafting of Al2Cl3Me3 on a Silica Surface//, Kerber, T.; Kerber, R. N.; Rozanska, X.; Sautet, P.; Fleurat-Lessard, | - //QMX: a Versatile Environment for Hybrid Calculations Applied to Grafting of Al2Cl3Me3 on a Silica Surface//, Kerber, T.; Kerber, R. N.; Rozanska, X.; Sautet, P.; Fleurat-Lessard, | ||
| + | ===== Contribution du Centre Blaise Pascal à ce projet ===== | ||