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Parallel Calculation of Propane Bulk Properties

  • Alessandro Costantini
  • Antonio Laganà
  • Fernando Pirani
Part of the Lecture Notes in Computer Science book series (LNCS, volume 3980)

Abstract

The density of propane bulk system (in gas and liquid phase) have been estimated using molecular dynamics calculations. The effect of adopting two different force fields (OPLS/AMBER and Atom-Bond), varying the number of processors and increasing the numbers of molecules has been analysed.

Keywords

Chem Phys Parallel Calculation Molecular Dynamic Calculation Propane System European Research Area 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2006

Authors and Affiliations

  • Alessandro Costantini
    • 1
  • Antonio Laganà
    • 1
  • Fernando Pirani
    • 1
  1. 1.Dipartimento di ChimicaUniversità di PerugiaPerugiaItaly

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