Author Archives: Hugh Martin

InSiDE, Spring 2017 Edition Out Now

Twice per year, the Gauss Centre for Supercomputing publishes the journal InSiDE. It reports on applications, systems and performance, news and courses of the three member centres (HLRS, LRZ, JSC). The Spring 2017 Edition is out now: Articles of particular interest include: 1) GCS: Delivering 10 Years of Integrated HPC Excellence for Germany Featuring our…

CompBioMed Paper on Cover of JCTC Issue

The Journal of Chemical Theory and Computation have awarded the cover for their April issue to the CompBioMed paper from Agastya Bhati, Shunzou Wan, David Wright, and Peter Coveney, “Rapid, accurate, precise and reliable relative free energy prediction using ensemble based thermodynamic integration”. You can view the issue here, the cover image is shown below:

HPC Interactive Day Event

To all considering doing HPC in public cloud, on June 8th Oxford University, along with Ellexus and Alces Flight, are hosting an interactive day with HPC at the Oxford SIG. The event is free to attend. Post-event reception after at the Royal Oak pub. Just bring your laptop and any questions you might have. Event…

CompBioMed Paper Published

Pavel Zun, Tatiana Anikina, Andrew Svitenkov and Alfons Hoekstra have published “A Comparison of Fully-Coupled 3D In-Stent Restenosis Simulations to In-vivo Data” in Frontiers in Physiology. The paper is available here.

CompBioMed WIRED Article

Roger Highfield has published a WIRED article on “How weather forecasts could help develop ‘designer’ drugs personalised to your illness”, featuring Peter Coveney and the CompBioMed’s recent JCTC paper. You can find the article here.

Frontiers in Physiology Research Topic

In collaboration with Frontiers in Physiology, section Computational Physiology and Medicine, a Research Topic has been organised with strong links to CompBioMed, entitled “Advanced HPC-based Computational Modeling in Biomechanics and Systems Biology”. The research topic aims to bridge the gap between Computational Biomechanics and Systems Biology, being the bridge HPC-based Computational Modelling. It is co-edited…

Peter Coveney at the 253rd ACS National Meeting

Peter Coveney is to give three talks at the 253rd ACS National Meeting in San Francisco, California, April 2-6, 2017. The first talk will be audio-recorded and be made available shortly after the event. 1) High performance and/or cloud computing for free energy prediction using molecular dynamics simulations? DIVISION: Division of Computers in Chemistry SESSION:…

OpenMultiMed Training School

The OpenMultiMed Training School: Computational Tools for Systems Medicine (Porto, February 21-23, 2017) will provide training in concepts, methods and computational tools for multiscale systems medicine. Systems medicine is an emerging interdisciplinary framework that aims to improve our understanding, prevention and treatment of complex diseases by integrating knowledge and data across multiple levels of biomedical…

UCL joins the EUDAT CDI Council

CompBioMed partner UCL was voted onto the the EUDAT CDI Council during the EUDAT Helsinki meeting on 23-27 Jan 2017. The EUDAT Collaborative Data Infrastructure (CDI) contributes to the work of the successful EUDAT initiative, to develop and maintain a persistent, long-lived data storage and sharing infrastructure that will run for at least 10 years.…