A.J. Fisher (1), A.P. Horsfield (1), T.N. Todorov (2), C. Sanchez (2)
and D.R. Bowler (1,3)

(1) Department of Physics and Astronomy and London Centre for
Nanotechnology, University College London
(2) Atomistic Simulation Group, Queen's University Belfast
(3) International Centre for Young Scientists, NIMS, Tsukuba, Japan

Coupled dynamics of electrons and ions is important throughout the physical sciences, in phenomena as diverse as desorption-induced electronic transitions (DIET), electron-induced amnd photo-induced chemical reactions, local heating in nanostructures, radiation damage,
and molecular electronics.

I will describe a new approach to simulating these processes, which focuses on retaining just enough of the crucial correlations between electrons and ions as the system evolves to describe energy transfer between them correctly. I will give a status report on the development and applications of this new technique, known as CEID (Coupled Electron-Ion Dynamics).