Posters

P1.

S. Bernard (CEA, France)
First principles phonons in tantalum under pressure

P2.

A. Cleave (Imperial College London)
Fluorite ceramic waste forms for actinide immobilisation

P3.

D. J. Cooke (Bath)
Atomistic simulation of the interaction of mineral surfaces with water

P4.

G. A. Cox (Birmingham)
A genetic algorithm study of the protein folding problem

P5.

D. J. Driscoll (Surrey)
Defects and ion transport in materials with the Sc2(WO4)3 type structure

P6.

C. L. Freeman (Bristol)
Multi-configuration sampling for modelling carbonate solid solutions

P7.

T. Gibbs (University College London)
Short cation-cation distances in zeolites: the case of K-LSX

P8.

S. Jahn (Oxford)
Multipoles and interaction potentials in ionic materials from planewave-DFT calculations

P9.

O. J. Lanning (Oxford)
Structure of electrified interfaces

P10.

L. D. Lloyd (Birmingham)
A study of segregation in Pt-Pd nanoalloys using a genetic algorithm

P11.

R. Lukac (Murska Sobota, Slovenia)
Chiral recognition in HPLC by computer simulations

P12.

P. C. H. Mitchell (Reading)
Surface vibrational states of dispersed platinum catalysts and adsorbed species: computational modelling and inelastic neutron scattering spectra

P13.

B. Morgan (Oxford)
Pressure-driven phase transitions in nanoparticles

P14.

I. M. Neelov (Leeds)
Brownian dynamics simulation of dendrimers and hyperbranched polymers under flow

P15.

A. Sebetci (Cankaya University, Turkey)
The structure of small platinum clusters

P16.

M. M. Siddick (Edinburgh)
Some new applications for plane-wave DFT calculation in chemistry

P17.

A. Tan (Imperial College London)
Surface structure studies of fluorite oxides

P18.

M. G. Taylor (Reading)
Atomistic or ab initio? Modelling of thorium phosphates

P19.

J. Tolchard (Surrey)
Conductivity and disorder in rare earth apatites