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Terahertz Applications Group

Department of Chemical Engineering and Biotechnology
PRACE and CECAM Molecular Simulation Workshop in Dublin

Mike attended and presented work at a PRACE and CECAM sponsored workshop on high performance computing and molecular simulation in Dublin, Ireland in May. The workshop highlighted recent technological advances in computing, and the resulting new horizons for modelling molecular systems.

The workshop featured lectures by leading developers for a variety of classical and ab initio software packages, including GROMACS, DL-POLY, CP2k, Siesta, and ONTEP. Recent advances in modelling molecular systems with atom-counts ranging from hundreds to hundreds of thousands where exhibited. There were insightful hands-on sessions, where participants were able to test out new functionalities directly with support from the developers.

The workshop also allowed some time for exploring the beautiful city of Dublin, complete with the obligitory pint of Guinness (which was scientifically proven to taste better in Dublin!).

If you look closely in the picture tweeted by @ICHEC you can make out the back of Mike's head (hint: he's wearing the pink shirt!)