Title :
An alternative distribution model for the Molecular Dynamics study of liquid Propane on a grid platform
Author :
Costantini, Alessandro ; Laganà, Antonio ; Pacifici, Leonardo ; Gervasi, Osvaldo
Author_Institution :
Univ. of Perugia, Perugia
Abstract :
The density of liquid propane has been estimated using molecular dynamics calculations performed on the EGEE-Grid distributed platform and adopting an OPLS/AMBER force field. The difficulty of determining the pressure of the system using the same sample and the same distribution model has motivated us to develop an alternative approach.
Keywords :
carbon compounds; grid computing; molecular dynamics method; physics computing; EGEE-grid distributed platform; OPLS/AMBER force field; liquid propane density estimation; molecular dynamics calculation; Bonding forces; Chemistry; Computer applications; Computer science; Distributed computing; Force measurement; Grid computing; Mathematics; Power system modeling; Refrigerants;
Conference_Titel :
Computational Science and its Applications, 2007. ICCSA 2007. International Conference on
Conference_Location :
Kuala Lampur
Print_ISBN :
978-0-7695-2945-5
DOI :
10.1109/ICCSA.2007.38
