A detailed description of the grid implementation on the production computing grid of EGEE of FLUSS and MCTDH quantum codes performing a calculation of atom-diatom reaction rate coefficients is given. An application to the N + N2 reaction for which a massive computational campaign has been performed is reported. © 2009 Springer Berlin Heidelberg.
A grid implementation of direct quantum calculations of rate coefficients
FAGINAS LAGO, Maria Noelia;LAGANA', Antonio;
2009
Abstract
A detailed description of the grid implementation on the production computing grid of EGEE of FLUSS and MCTDH quantum codes performing a calculation of atom-diatom reaction rate coefficients is given. An application to the N + N2 reaction for which a massive computational campaign has been performed is reported. © 2009 Springer Berlin Heidelberg.File in questo prodotto:
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