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CCP5 ANNUAL MEETING 2001

University of Warwick, UK

Programme

Sunday 16th September

Arrive from about 3pm; registration 4 - 6 pm Please go to "Rootes Reception", which is in the foyer of the Rootes building on the University campus; dinner available from 6pm

Monday 17th September

Lecture Room SO19
8.50-9.00 Welcome
9.00-9.45 K. Refson
Title to be announced
9.45-10.10 P. I. C. Teixeira
Hard particles between hard walls
10.10-10.35 G. Galliéro
Thermal diffusion in simple binary mixture in bulk fluid and in nanoporous medium, a NonEquilibrium Molecular dynamics approach.
10.35-11.05 Coffee
11.05-11.30 M.P. Allen
Simulation and Theory of Liquid Crystal Interfaces
11.30-11.55 Makoto Yoneya
Searching for the nano-structures of thermotropic cubic liquid crystal
11.55-12.20 S. Hanna
Atomistic Simulations of Liquid Crystals at Interfaces
12.20-12.45 D. Cleaver
Molecular simulation of a liquid crystal chevron
12.45-14.15 Lunch
14.15-15.00 B.R. Brooks
Title to be Announced
15.00-15.30 B. Leimkuhler
Resonance-Free Methods for Multiple Time Scale Dynamics
15.30-18.00 Posters (coffee/tea/etc available)
18.00-19.30 Dinner

Tuesday 18th September

Lecture Theatre SO19
9.00-9.25 J.H. Harding
Grain boundary diffusion in ceramics: simulation by kinetic Monte Carlo
9.25-9.50 B.B. Laird
Hard-spheres and the crystal-melt interfacial free energy of close-packed crystals
9.50-10.15 D.M. Heyes
Transport Coefficients and Dynamical Properties of Near-hard Sphere Fluids
10.15-10.40 H. Xu
Phase diagrams of polydisperse van der Waals fluids and interfacial properties
10.40-11.10 Coffee
11.10-11.35 M. Paolantoni
Polarizability anisotropy relaxation in liquid ethanol
11.35-12.00 S.S. Xantheas
Development of a new all-atom polarisable, flexible interaction potential for water:
Results for clusters, liquid water and various ice polymorphs
12.00-12.25 J.G. Powles
A Collapsing Bubble in a Liquid - a Model for Sonoluminescence.
12.25-12.50 R.E. Westacott
Hydrolysis Reactions in Supercritical Water: A Computer Simulation Study.
12.50-14.00 Lunch
14.00-15.30 Free Time
15.30-16.00 Coffee
16.00-16.45 M.J. Gillan
Plumbing the depths with ab initio thermodynamics
16.45-17.10 R. M. Lynden-Bell
Solvation in room temperature ionic liquids
17.10-17.35 A. Aguado
Surface Tension of the Liquid-Vapour Interface of KI
17.35-18.00 CCP5 Annual General Meeting
18.30-20.00 Dinner

Wednesday 19th September

Lecture Theatre SO19
9.00-9.45 M.L. Klein
Biomolecules at Soft Interfaces
9.45-10.10 S.-J. Marrink
Molecular dynamics studies of the self-assembly of lipids and surfactants
10.10-10.35 M. San-Miguel
The Effect of Corrosion Inhibitor Films on Deposition and Adhesion of Paraffin Wax to Metal Surfaces
10.35-11.05 Coffee
11.05-11.30 A. Issanin
Molecular dynamics study of bending processes on DNA-chain in water solution initiated by Pt-complexes.
11.30-11.55 S.A. Harris
DNA Dynamics and Information Transfer
11.55-12.20 A.M. Puertas
Simulation of Glass and Gel transitions in Colloidal Systems
12.20-12.45 S. Tuble
Simulations of a Hydrogen Bonded Crystal
12.45-14.00 Lunch
Departure
Last modified 28 October 2002 		 
 
   
 
 
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