Contributed Lectures

C1.

R. A. Davies (Surrey)
Defect and electronic properties of layered LiNi1-yMnyO2 lithium battery materials

C2.

M. Yu. Lavrentiev (Bristol)
Atomistic simulation of garnet solid solutions at high temperatures and pressures

C3.

Z. Du (Birkbeck)
Behaviour of water molecules on quartz surfaces and on a SiO2 nanorod surface

C4.

J. Harding (University College London)
Surface diffusion in oxides - it's not the way you think it is

C5.

T. Bredow (Hannover)
Adsorption of CO, NO and NH3 at NiO(100)

C6.

A. Kornyshev (Imperial College London)
Modelling proton transport: from water to polymer electrolyte membranes for fuel cell applications

C7.

S. I. Simdyankin (Cambridge)
First principles simulations of amorphous chalcogenides

C8.

N. H. de Leeuw (Birkbeck)
A Density Functional Theory study of silver surfaces and chlorine adsorption

C9.

A. Michaelides (Cambridge)
Different surface chemistries of water on Ru(0001): from monomer adsorption to partially associated bilayers

C10.

P. L. A. Popelier (UMIST)
Simulation of liquid water using a high rank quantum topological electrostatic potential

C11.

J. D. Gale (Curtin University of Technology, Perth)
An efficient method for the study of solvent-dependent crystal morphology

C12.

D. Duffy (Reading)
Modelling the growth of calcium carbonate crystals on organic monolayers

C13.

D. Sayle (Cranfield)
Simulating encapsulated nanoparticles; accelerating dynamical simulation

C14.

A. El-Barbary (Sussex)
Structure and energetics of the vacancy in graphite

C15.

J. Doig (Cranfield)
Simulating dispersed impurities in a microstructure

C16.

J. Kohanoff (Queen's University Belfast)
Beyond the classical nuclei approximation in electronic structure calculations

C17.

E. Valderrama (Nottingham)
An environmental pseudo-potential approach to molecular interactions: implementation in MOLPRO

C18.

P. A. Madden (Oxford)
Transferable oxide potentials, by force-matching to AIMD results