CombeDay 2005 Timetable

Wednesday 2^nd February 2005

Held in the Main Lecture Theatre (room 1001) Building 29
School of Chemistry, University of Southampton

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09:30 Jeremy Frey Welcome, followed by The CombeChem e-Science Project: Perspectives
and Aspirations

Design and Analysis

09:45 Sue Lewis Introduction, followed by e-Statistics (video)

10:05 Dan Grove An e-learning tool for the design and analysis of
chemistry experiments

10:25 Dave Woods & David Dupplaw EliCIT: a web-based knowledge elicitation
tool for planning experiments

10:40 Jeff Samuel Data modelling for combinatorial materials development for lithium batteries

Model Building

11:20 Jon Essex Introduction, followed by e-Models

11:35 Jeremy Harvey Using e-Science to Probe Structure
and Bonding in Metal Complexes:
Database Mining and Computation

11:55 monica schraefel Smart Interfaces to the world

12:15 Sarah Kent & Rob Gledhill e-Malaria: An e-Science, e-Learning Project
Technical Description

The RDF of the Chemical World

13:35 Dave De Roure Introduction, followed by Chemistry as a
Pervasive Semantic Test-bed

13:50 Hugo Mills Smart Lab, Smart Tea

14:30 Jamie Robinson Smart Environment for
Smart Labs

14:45 Kieron Taylor Smart Storage for Physical Properties

Crystallography and the NCS

15:15 Mike Hursthouse Introduction, followed by
The future for ESPRC
National Services

15:30 Simon Coles NCS Grid Service and
Security Issues

15:50 Thomas Gelbrich XPac - An algorithm for comparison of molecular packing arrangements

16:10 Graham Tizzard Structure property relationships: crystal structure
of non centrosymmetric polymorphs

16:20 Suzanna Ward Systematic Study into salt formation of
functionalised organic substrates

16:30 Simon Coles e-Crystals and e-Bank: The Crystal Grid Network