Modelling and simulation: from nanoscale insight to economic impact
Starting from an overview of challenges faced by scientists and engineers in sectors
such as electronics and composite materials the opportunities for modelling and
simulation from the electronic level to the mesoscale will become evident. However, a
critical overview of current modelling and simulation methods will lead to the
conclusion that there are significant challenges due to the multi-scale nature of many
applications. In addition, the “multi-material” challenge typical for modern
nanotechnology applications that involve interfaces between different types of
materials (such as inorganic and organic or biological) will be discussed, as well as the
issue of configurational space. This leads to the question of whether, where and how
modelling and simulation makes an impact. Application examples will be given based
on different approaches including single and multiscale simulation, high-throughput
computational screening and integrated computational materials engineering. Finally,
the economic impact of modelling and simulation will be discussed.