June 2013

ScotCHEM Computational Chemistry Symposium 2013 – or why I need to learn more Chemistry

Author: Toni Collis
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!

CP2K-UK: Now recruiting!

Author: Iain Bethune
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.

ISC13: Meet the Edinburgh Student Cluster Challenge team

Author: Xu Guo
Posted: 19 Jun 2013 | 12:30

The EPCC MSc Student Cluster Challenge team were interviewed on the first day of the competiton at ISC'13. Also check out their Facebook page

HECToR/Cray XC30 courses next week

Author: David Henty
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.

Survey on Software Discovery and Usage

Author: Mario Antonioletti
Posted: 19 Jun 2013 | 07:31
In connection with the Software Hub project that we are involved with, Jisc is performing a survey on how you discover and use software in a work-related context. Findings from this survey will help Jisc to better understand problems that the Higher and Further education sectors face in this area and what Jisc and its partner organisations might do to help.

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