Sep 21 – 25, 2009
Hotel Barcelo Sants
Europe/Zurich timezone


Computational Chemistry -- Cluster status and evolution

Sep 22, 2009, 11:00 AM
Hotel Barcelo Sants

Hotel Barcelo Sants



Chemical community is very rapidly adopting EGEE Grid as a computational platform for numerical experiments becoming third resource consumer. Numerous applications of computational chemistry methods cover wide area ranging from quantum dynamics simulations for small molecules through ab initio computations up to molecular dynamics modelling of large molecular systems of biological and industrial importance helping to design new materials and study their properties. Despite this success the community utilizes only about 8 percent of EGEE Grid. Therefore Chemistry and Material Science and Technology (CMST) Specialized Support Centre (SSC) – a successor of Computational Chemistry Cluster, will invest into complementing software, computational tools and advanced services as a highly rewarding task in promoting grid computing among chemical and material science and technology community.

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