Logo of Science Foundation Ireland  Logo of the Higher Education Authority, Ireland7 CapacitiesGPGPU Research Projects
Ireland's High-Performance Computing Centre | ICHEC
Home | News | Infrastructure | Outreach | Services | Research | Support | Education & Training | Consultancy | About Us | Login
News02 category

Research highlight

Posted on 14 September 2012

ICHEC is delighted to announce that Dr Nicola Varini, a member of staff at ICHEC, along with Dr Niall English of the UCD School of Chemical & Bioprocess Engineering and in collaboration with scientists at the US Sandia National Laboratories, has recently published work in the journal Energies.

Their article, entitled Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms, investigated ways of significantly speeding up classical molecular dynamics simulations run using the well-known LAMMPS software on novel computer architectures including hybrid CPU/GPU-based platforms. Having been awarded time on one of Europe's largest Tier-0 Supercomputers, CURIE, via PRACE's Type C Preparatory Access initiative, Drs Varini and English were able to show that CUDA-enabled versions of the LAMMPS MD software packages dramatically reduced the simulation times of methane hydrates. Both authors strongly acknowledge the vital role that access to ICHEC's Stoney GPU cluster played in the initial optimization and testing stages of their work.

About Methane Hydrates

Methane hydrates are the most widespread type of clathrate which has driven significant interest in their use as a resource, as a potential geohazard, their role in the global carbon cycle, and potential influence on climate change. Progress in research in these areas depends fundamentally on the availability of high-quality property data and an increased understanding of underlying physics and chemistry governing clathrate hydrates in nature.

News & Events

News01 category PRACE Autumn School 2014
25-28 Nov, Athens, Greece
Nanoscale01 category DL_POLY tutorial in Cork
DL_POLY tutorial in Cork
Weather02 category Volcanic Ash Cloud Alert
NUI Galway's C-CAPS and ICHEC react rapidly in response to latest alert
Nanoscale01 category Research Highlight
Molecular-Scale Transition Metal Oxide Nanocluster Surface-Modified Titanium Dioxide as Solar-Activated Environmental Catalysts
News02 category ICHEC and NewsWhip take on Viral stories
A collaboration conducted to predict how viral a story will be