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CCP5 ANNUAL MEETING 2000

University of Surrey, Guildford, UK

Lecture Timetable

Please note that this timetable is subject to possible change

Monday 3rd July

Lecture Theatre F
8.55-9.00 Welcome
Chair David Heyes
9.00-10.00 Ruth M. Lynden-Bell
Simulation: How to do things that experimentalists can't do and wish they could.
10.00-10.30 Richard J. Sadus
A Link between the Two-Body and Three-Body Interaction Energies of Fluids from Molecular Simulation.
10.30-11.00 Coffee
Chair Bill Smith
11.00-11.30 Lev D. Gelb
Simulations of Capillary Condensation in Porous Glasses.
11.30-12.00 Karl P. Travis
Diffusion of Oxygen and Nitrogen in Graphite Slit-pores using Dual Control Volume Grand Canonical Molecular Dynamics (DCV GCMD).
12.00-12.30 Mark Calmiano
The Sorption of Krypton in Silicalite.
12.30-13.00 José Alejandre Ramirez
Computer Simulation of Interfaces on Polar and Non-polar Systems.
13.00-14.00 Buffet Lunch (Acorns - Oaks Suite, Seasons Restaurant)
Chair Ruth Lynden-Bell
14.00-15.00 Jean-Louis Barrat
Simulating Non-equilibrium Dynamics in Glassy Systems: Aging, Effective Temperature and Behaviour under Shear.
15.00-15.30 Gerald Kneller
Simulating Inelastic Neutron Scattering from Proteins using Simplified Stochastic Models.
15.30-16.00 Tea
Chair John Harding
16.00-16.30 Tiffany Walsh
Developing Force Fields for Simulations of Polymer-oxide Interfaces.
16.30-17.00 M. Saiful Islam
From Ion Conductors to Intercalation Compounds: The Modelling of New Materials.
17.00-17.30 W. Smith
Modelling Benzene Diffusion in a Zeolite with Constraint Molecular Dynamics.
17.30-18.00 Antonio L. Ferreira
Application of Histogram Techniques to Phase Diagram Calculations.
18.30 Dinner (Seasons Restaurant)

Tuesday 4th July

Lecture Theatre F
Posters may be displayed all day.
Chair Maurice Leslie
9.00-10.00 Benedict Leimkuhler
Geometric Integrators in Molecular Simulation.
10.00-10.30 Jack G. Powles
Temperatures: Old, New and Middle Aged.
10.30-11.00 Coffee
Chair Ben Leimkuhler
11.00-12.00 Paul Madden
Many-body Interaction Effects on the Properties of Molten Ionic Mixtures.
12.00-12.30 Jeroen S van Duijneveldt
Simulation Study of Rod-like Molecules with Terminal Dipoles and Flexible Tails.
12.30-13.00 John H. Harding
Grain Boundary Diffusion and the Reactive Element Effect.
13.00-14.00 Buffet Lunch (Lecture Block Lower Concourse)
Chair Paul Madden
14.00-15.00 William G. Hoover
From Atoms to Continua, using Smooth Particles.
15.00-15.30 James A. Elliott
A Dissipative Particle Dynamics Method for Modelling the Packing and Flow of Granular Materials.
15.30-16.00 Tea
Chair Ugur Tüzün
16.00-16.30 M. Natália D. S. Cordeiro
Ion Transfer Processes Across Liquid/Liquid Interfaces.
16.30-17.00 Robert B. Jones
Colloidal Clusters in Shear Flow Near a Wall.
17.00-17.30 CCP5 Annual General Meeting
  In Lecture Theatre F
17.30-19.00 Sherry Reception and Poster Session (Lecture Block Lower Concourse)
20.00 Conference Dinner (Oaks Suites 1 and 2, Seasons Restaurant)

Wednesday 5th July

Lecture Theatre F
Chair Robert B. Jones
9.00-10.00 Ugur Tüzün
Macromolecular Product Engineering using a Simulation Toolkit.
10.00-10.30 Sebastian Reich
EQUILBRIUM - An Improved Multiple-time-stepping Scheme for Molecular Dynamics.
10.30-11.00 Coffee
Chair Sebastian Reich
11.00-11.30 Ramzi Kutteh
Constraint Methods for Stokesian Dynamics Simulations of Colloidal Particles with Hydrodynamic Interactions.
11.30-12.00 Miguel San-Miguel
Modelling the Formation of Corrosion Inhibitor Films and Wax Deposition on Metal Oxide Surfaces.
12.00-12.30 Jelena Stefanovic
The Calculation of Partial Derivatives of Molecular Dynamics.
12.30-13.00 Dorothy Duffy
Molecular Dynamics Simulations of the Growth of Paraffin Crystals with Adsorbed Inhibitors.
13.00-14.00 Buffet Lunch (Acorns - Oaks Suite, Seasons Restaurant)
Departure
Last modified 28 October 2002 		 
 
   
 
 
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