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Edikt2009: Using Computing in your Research

This meeting is intended to bring together Scottish researchers who make heavy use of computational techniques, such as simulation, modelling or analysis to do research. This will allow an exchange of ideas and provide an opportunity to see how other scientists use resources to maximum benefit.

The day will be arranged into four sessions covering a wide range of computational research: Computational Chemistry, Cell Biology and Bioinformatics, Medical Imaging, Computational Techniques. Speakers are from a range of Higher Educational Institutes around Scotland. In addition, a poster session will be held in the coffee and lunch breaks.

The symposium is free of charge and lunch and snacks are provided.

Registration is via the following website:

For more information on the edikt2 project or the symposium, pleasesee the edikt2 website or contact Jon Hill (, 0131 6506494).


09:30 Opening Address
Prof. Arthur Trew, EPCC, Univeristy of Edinburgh

Session 1 Biology and Bioinformatics
Chair: Muriel Mewissen, DPM, University of Edinburgh
09:45 Salman Tahir [Univerity of Edinburgh]
Identification of cross-linked peptides in proteomics scale experiments

10:10 Mizan Khondoker [Univerity of Edinburgh]
High performance computing using R and MPI: a simulation study to determine
optimal number of biomarkers for patient classification

10:35 Dick Lerski [Univerity of Dundee]
Texture Analysis of Medical Images - Computing Requirements

11:00 Coffee and poster session 1

Session 2 Computational Chemistry
Chair: Andrew Turner, EPCC, University of Edinburgh
11:45 Tricia Richardson [Univerity of Edinburgh]
EaStCHEM Research Computing Facility

12:10 Derek Wann [Univerity of Edinburgh]
The use of molecular dynamics simulations to aid gas-phase structure
determination of unusual molecules

12:35 Michael Buehl [St Andrews University]
CPMD simulations of uranyl complexes in aqueous solution - toward the
virtual actinide lab.

13:00 Lunch

Session 3 Grid Technologies
Chair: Jos Koetsier, NeSC, University of Edinburgh
14:15 Sam Skipsey [Univerity of Glasgow]
ScotGrid - A distributed WLCG Tier-2

14:40 John Farrington [University of Aberdeen]
Using eScience to Support Evidence-Based Policy Research

15:10 Coffee and poster session 2

Session 4 Computational techniques
Chair: Adam Carter, EPCC, University of Edinburgh
16:00 Bob Mann [Univerity of Edinburgh]
Distributed data management for LSST: a feasibility study

16:25 Jason Swedlow [Univerity of Dundee]
The Open Microscopy Environment: Open Image Informatics and
Data Management for Biological Microscopy


17:30: END

WestPark Conference Centre, Dundee
29 Apr 2008