Posted: 21 Jun 2013 | 17:05
Last week I attended ScotChem 2013 at the School of Chemistry, University of St Andrews. This two-day event was founded by Carole Morrison (Chemistry, University of Edinburgh) and Tanja van Mourik (Chemistry, University of St Andrews) to bring together computational chemists in Scotland, and I went along to find out how the HPC community is involved in computational chemistry. This was also the first year that the ScotCHEM meeting was held over two days - the first day was focused on a CCP5 workshop on modelling the chemistry and biochemistry of condensed phases. This workshop also aimed to address the underrepresentation of women in Chemistry by showcasing an all-female cast! It certainly is impressive to see so many female computational chemists, as normally I feel surrounded by men!
Posted: 20 Jun 2013 | 13:48
'CP2K-UK' is a new project starting shortly at EPCC, aiming to nurture the growth of a self-sustaining user and developer community around the CP2K materials science code here in the UK. I have been working on CP2K for nearly 5 years now thanks to a series of HECToR dCSE and PRACE projects, so it is great to get a chance to work on some of the more fundamental issues around usability and sustainability of the code, thanks to success in the EPSRC 'Software for the Future' call.
Posted: 19 Jun 2013 | 12:30
Posted: 19 Jun 2013 | 12:13
Cray Advanced Tools Workshop
As part of our PRACE Advanced Training Centre (PATC) programme, EPCC is hosting a "Cray Advanced Tools Workshop" in JCMB on 26-27 June using HECToR as the platform. If you are interested in attending see the event page on the PRACE website.
Posted: 19 Jun 2013 | 07:31