NW-GRID in Research

Computational science is a particular strength of the North West of England. Some of the simulation and modelling projects which have made use of the NW-GRID infrastructure are listed below. Publications and highlights from this work can be found on the News page.

Biology and Bio-Informatics

Bioinformatics - Robert Stevens (Manchester)

Biological Modelling - Magnus Rattray (Manchester)

Bi-pedal Gait Analysis - Prof. Robin Crompton (Liverpool) Studies of homonin and dinosaur movement. See BBC news article "T. rex would outrun Footballer".

e-HTPX: e-Science Resources for High-Throughput Protein Crystallography - Rob Allan (Daresbury) BBSRC/ DTI funded structural biology pipeline from gene expression to 3D protein structure analysis. Now finished, but some services have migrated on the the Diamond Synchrotron.

Computational Chemistry

Optical Properties of Materials - Paul Sherwood (Daresbury)

CCP1 GUI - Jens Thomas (Daresbury)

Quantum Directed Virtual Evolution - Marcus Durrant (Northumbria) - hosted by Daresbury

Complexation of Cyclodextrins - C. Yong (Daresbury)

Complex metal oxides - George Darling (Liverpool)

Computational Materials

KCMC - Knowledge Centre for Materials Chemistry - Paul Sherwood (Daresbury)

Computational simulation of materials: CCP3 - Christine Bailey (Daresbury)

Exhaustive Phase Space Search of Atomic Configurations - Gabor Csanyi (Cambridge) - host site Daresbury

Solid State Physics - Prof. Werner Hofer (Liverpool)

CCP9: electronic structure of materials - Leon Petit (Daresbury)

Computer Science and Software Development

GROWL: Grid Resources on Workstation Library - Rob Allan and John Kewley (Daresbury)

Campus Grids - Rob Allan (Daresbury), Robin Pinning (Manchester), Ian Smith (Liverpool)

Virtual Research Environments and Portals - Rob Allan (Daresbury), Rob Crouchley (Lancaster)

RMCS: Remote myCondor Submit - Rob Allan (Daresbury)

OpenORB - Geoff Coulson (Lancaster)

GridKit - Geoff Coulson (Lancaster)

Economics and Social Simulation

EURACE - Prof. Chris Greenough (RAL)

NeISS - National e-Infrastructure for Social Simullation - Prof. Mark Birkin (Leeds) - host site Daresbury

Engineering

VEC - Virtual Engineering Centre - Tony Robotham (Daresbury)

Ship Air Wake Studies - Prof. Gareth Padfield (Liverpool)

MACE - Mechanical and Civil Engineering - Juan Uribe (Manchester)

Medicine

Radio-therapy Planning - Colin Baker (Liverpool)

Natural Environment

e-Minerals: Environment from the Molecular Level - Rob Allan (Daresbury) NERC-funded project with University of Cambridge simulating mineral properties to better understand how to control pollution and encapsulate nuclear waste. Now finished, but the RMCS software which was developed is still being used on NW-GRID and the NGS. See news item on pollution studies.

Global Coastal Ocean Modelling - Jason Holt (POL) - host site Daresbury Studies of shelf-sea environments around continents.

Ocean Circulation Modelling - Prof. Ric Williams (Liverpool)

Seismology - Prof. Andreas Rietbrock (Liverpool)

Unified Model Centre of Competency - Stephen Pickles (Daresbury)

Physics

Advanced Electromagnetics - Graeme Burt (Lancaster) - host site Daresbury

Hadronic Physics - Prof. Alan Irving (Liverpool)

GridPP - Dr. Mike Houlden (Liverpool) and Roger Jones (Lancaster)

Nano-Technology - Prof. Colin Lambert (Lancaster) Design and simulation of hybrid nano-structures. See note on conductance of molecular junctions

NW Accelerator Grid - Hywel Owen (Cockcroft Institute) - host site Daresbury Multi-particle physics simulation for accelerator design and beam steering.

Exploring the Multiverse: Producing a suite of Cosmological N-body Simulations - Prof. Bob Nichol (Portsmouth) - host site Daresbury

Simulations of Antihydrogen Formation - Svante Jonsell (Swansea) - host site Liverpool

Statistical Analysis

Efficient Stochastic Process Models - Neil Lawrence (Manchester)

Synthetic Small Area Estimates - Paul Hewson (Plymouth) - host site Lancaster

Text Mining and Information Retrieval - Prof. Paul Watry (Liverpool)

Sabre/ SabreR - Prof. Rob Crouchley (Lancaster) statistical analysis software for longitudinal data used in the ESRC-funded CQeSS node.

ESRC e-Infrastructure - Rob Allan (Daresbury) ESRC-funded project coordinated by NCeSS, the National Centre for e-Social Science, in Manchester.

Performance of k-nn algorithm on NW-GRID - Dan Grose (Lancaster)