Next Article in Journal
Quantitative Analysis of Lithium-Ion Battery Capacity Prediction via Adaptive Bathtub-Shaped Function
Next Article in Special Issue
A Long Gravity-Piston Corer Developed for Seafloor Gas Hydrate Coring Utilizing an In Situ Pressure-Retained Method
Previous Article in Journal
Using Atmospheric Pressure Tendency to Optimise Battery Charging in Off-Grid Hybrid Wind-Diesel Systems for Telecoms
Previous Article in Special Issue
A Counter-Current Heat-Exchange Reactor for the Thermal Stimulation of Hydrate-Bearing Sediments
Article Menu

Export Article

Open AccessArticle
Energies 2013, 6(6), 3072-3081; doi:10.3390/en6063072

Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms

The SEC Strategic Research Cluster and the Centre for Synthesis and Chemical Biology, School of Chemical and Bioprocess Engineering, University College Dublin, Belfield, Dublin 4, Ireland
Received: 28 March 2013 / Revised: 31 May 2013 / Accepted: 14 June 2013 / Published: 20 June 2013
(This article belongs to the Special Issue Natural Gas Hydrate)
View Full-Text   |   Download PDF [254 KB, uploaded 17 March 2015]   |  


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 several million particles, on a variety of Blue Gene/L, P and Q platforms. It was found that the newer Blue Gene/Q platform offers attractive performance for massively-parallel simulation.
Keywords: hydrate; Blue Gene; molecular dynamics hydrate; Blue Gene; molecular dynamics
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

English, N.J. Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms. Energies 2013, 6, 3072-3081.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Energies EISSN 1996-1073 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top