  We extend the ab initio molecular dynamics (AIMD) method based on density
functional theory to the nonequilibrium situation where an electronic current
is present in the electronic system. The dynamics is treated using the
semi-classical generalized Langevin equation. We demonstrate how the full
anharmonic description of the inter-atomic forces is important in order to
understand the current-induced heating and the energy distribution both in
frequency and in real space.
