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recherche:projets:cadenced [2013/03/18 15:30]
sbarends créée
recherche:projets:cadenced [2015/12/09 16:16] (Version actuelle)
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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**
  
-{{:​science:​projets:​kaust.jpg?​nolink&200 |}}**Directed by: Philippe Sautet, ENS de Lyon** \\+{{:​science:​projets:​kaust.jpg?&​200 |}}**Directed by: Philippe Sautet, ENS de Lyon** \\
 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 =====
  
-{{:​science:​projets:​wgps3_ok.png?​nolink&200 |}}CADENCED is a joint research project between IFP, CNRS and ENS de Lyon in relation with the KCRC (KAUST Research Center For Catalysis).+{{:​science:​projets:​wgps3_ok.png?&​200 |}}CADENCED is a joint research project between IFP, CNRS and ENS de Lyon in relation with the KCRC (KAUST Research Center For Catalysis).
 In the 2009-2014 it will address one challenging target in chemistry/​petrochemistry,​ namely designing a new catalyst and process for higher alpha-olefin production from ethylene (1- hexene, 1-octene) and one challenging target in hydrogen production from water by In the 2009-2014 it will address one challenging target in chemistry/​petrochemistry,​ namely designing a new catalyst and process for higher alpha-olefin production from ethylene (1- hexene, 1-octene) and one challenging target in hydrogen production from water by
 photocatalysis using an approach combining computational and experimental methods to speed up the discovery process. In support of these two practical subprojects,​ and in view of the extensive use of computing required, another specific and challenging subproject on photocatalysis using an approach combining computational and experimental methods to speed up the discovery process. In support of these two practical subprojects,​ and in view of the extensive use of computing required, another specific and challenging subproject on
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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.
-{{ :​science:​projets:​toc.jpg?​nolink&500 |}}+{{ :​science:​projets:​toc.jpg?&​500 |}}
  
 ===== 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,​ P., J. Comput. Chem., 2013, Early View DOI:​10.1002/​jcc.23225   - //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,​ P., J. Comput. Chem., 2013, Early View DOI:​10.1002/​jcc.23225
  
 +===== Contribution du Centre Blaise Pascal à ce projet =====
recherche/projets/cadenced.1363617050.txt.gz · Dernière modification: 2015/01/07 10:04 (modification externe)