Modeling of finite systems irradiated by intense ultrashort hard X-ray pulses

Large number of experiments have already been carried out at the existing hard X-Ray Free-Electron Laser facilities (LCLS, SACLA) during the recent years. Their great success generates even higher anticipation for the forthcoming X-ray sources (European XFEL). Single molecule imaging and nanoplasma formation are the challenging projects with XFELs that investigate the interaction of finite, small objects, e.g. single molecules, atomic clusters with intense X-ray radiation. Accurate modelling of the time evolution of such irradiated systems is required in order to understand the current experiments and to inspire new directions of experimental investigation. In this presentation we report on our theoretical molecular-dynamics tool able to follow non-equilibrium dynamics within finite systems irradiated by intense X-ray pulses. We introduce the relevant physical processes, present computational methods used, discuss their limitations and also the specific constraints on calculations imposed by experimental conditions. Finally, we conclude with a few simulation examples.