Lensless imaging of inorganic nanostructures
The ability to measure spatial and temporal correlations at the atomic scale, using coherent scattering from the SwissFEL, represents a power ful tool for calibrating the accuracy of atomistic simulations in materials. The length and time scales currently accessible to MD calculations (~100 nm, ∼1 ns) fit very well to the spatial and temporal scales made accessible with the SwissFEL (see Fig. III.13). An impor tant result of the comparison of theor y and measurement will be the validation of the approximations and parameter values used in MD. Of par ticular interest is the relation, at the shor test time and length scales, between paramaterized MD calculations and ab initio methods, which explicitly treat the quantum-mechanical behavior of the electrons. Correct formulation at this fundamental level is of utmost impor tance to provide accurate input paramenters for larger-scale modelling.