Modelling & simulation

EPCC explores Soft Condensed Matter

Author: Oliver Henrich
Posted: 11 Nov 2013 | 10:55

Today computer simulation is firmly established as the third pillar of science beside theory and experiment. As part of its research activities on modelling and large-scale simulation of soft condensed matter, EPCC maintains a long-standing collaboration with the Institute for Condensed Matter and Complex Systems (ICMCS) at the University of Edinburgh and the Centre for Computational Science at University College London.

Project ExTASY: solving the sampling problem

Author: Iain Bethune
Posted: 15 Oct 2013 | 12:18

Alongside APES, EPCC plays an important role in another project jointly funded by EPSRC and the US National Science Foundation to overcome one of the "Grand Challenges in the Chemical Sciences".

Free Energy Landscape of Alanine-12

Dinosaur racing, two months later

Author: Guest blogger
Posted: 30 Aug 2013 | 09:43

The PRACE Summer of HPC is a placement programme for undergraduate and postgraduate students. This post was written by Antoine Dewilde, one of the students who spent the summer here at EPCC.

In a previous post, I presented my project on making a dinosaur racing competition. In that post, I gave some background information about virtual palaeontology, and the purpose of my project here in Edinburgh. If you haven’t read it yet, now might be a good time to do so!

So, now that the project (and the summer) is almost finished, let us see what has happened in these past two months – and what you will soon be able to enjoy!

Summer of HPC students @ EPCC: end-of-project videos

Author: Irina Nazarova
Posted: 30 Aug 2013 | 09:04

The first PRACE Summer of HPC (SoHPC) programme has now finished. Each of the 4 students hosted by EPCC has made a short video about their project, which you can watch below. You can also read about the students in my earlier post.

How fast is a dinosaur?

Author: Guest blogger
Posted: 19 Aug 2013 | 10:40

Is a dinosaur faster if it has longer legs? Is it better for it to be bigger, and hence cover more distance, or to be smaller and lighter? Which species is the fastest? Thanks to high-performance computing, you will soon be able to experiment yourself, and try and find answers to all those questions!

Next Generation Sound Synthesis

Author: James Perry
Posted: 13 Aug 2013 | 14:16
When you think about applications for high performance computing and large-scale simulations, you probably think of particle physics, or climate modelling, maybe molecular biology. You probably don't think of music. But the Next Generation Sound Synthesis project (NESS) may change that.
 

Collaborating with EPCC

Author: Guest blogger
Posted: 3 Jul 2013 | 08:38
 
This post was written by Jon Hill from Imperial College, who used to work at EPCC and has been collaborating with us recently. 
A snapshot of a tsunami simulation of the 1755 Lisbon seismogenic tsunami.

I always jump at the chance to work with EPCC. Not just because they are my former employers (ah, the joys of Friday buns). Nor is it due to Edinburgh  being one of my favourite cities and collaborating with EPCC is a good excuse to visit. The main reason for collaborating with EPCC is to use the wealth of experience the people working there have on making scientific code go even faster. Whilst this is extremely important to our research, we don't have the time to do both science and improve code performance.

Beatbox Workshop - Day 2

Author: Mario Antonioletti
Posted: 25 Jun 2013 | 12:33

The second and final day of the Beatbox workshop that Adrian Jackson described yesterday consisted of a tutorial where some of the participants were walked through running Beatbox scripts and using Beatbox in general. 

The whole set-up was done using a bootable 8Gb Linux USB key which contained the key components, including part of the Beatbox distribution. That worked quite well and would be worth considering for this kind of course. The attendees got to take the USB keys away so they could continue evaluating Beatbox after the event, which is kind of neat.

Workshop talk on Beatbox: Biophysically and Anatomically Realistic Cardiac Simulations

Author: Adrian Jackson
Posted: 24 Jun 2013 | 10:22

I'm just preparing to give a talk, along with my colleague Mario, at the Beatbox workshop being held at Manchester University this week. Beatbox is an HPC environment for Biophysically and Anatomically Realistic

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!

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