Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms

Classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the computational performance of the Simple Point Charge (SPC) and TIP4P water models applied to simulation of methane hydrates, and also of liquid water, on a variety of specialised hardware platforms, in a...

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Bibliographic Details
Main Authors: Christian R. Trott, Nicola Varini, Niall J. English
Format: Article
Language:English
Published: MDPI AG 2012-09-01
Series:Energies
Subjects:
GPU
Online Access:http://www.mdpi.com/1996-1073/5/9/3526