Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms
Massively-parallel classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the computational performance of the Simple Point Charge (SPC) model and single-particle model of Molinero et al. applied to simulation of methane hydrates, using systems consisting of sev...
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| Format: | Article |
| Language: | English |
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MDPI AG
2013-06-01
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| Series: | Energies |
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| Online Access: | http://www.mdpi.com/1996-1073/6/6/3072 |