  Electronic circular dichroism is an important optical phenomenon offering
insights into chiral molecular materials. On the other hand, metal-organic
frameworks (MOFs) are a novel group of crystalline porous thin-film materials
that provide tailor-made chemical and physical properties by carefully
selecting their building units. Combining these two aspects of contemporary
material research and integrating chiral molecules into MOFs promises devices
with unprecedented functionality. However, considering the nearly unlimited
degrees of freedom concerning the choice of materials and the geometrical
details of the possibly structured films, we urgently need to complement
advanced experimental methods with equally strong modeling techniques. Most
notably, these modeling techniques must cope with the challenge that the
material and devices thereof cover size scales from {\AA}ngstr\"oms to mm. In
response to that need, we outline a computational workflow that seamlessly
combines quantum chemical methods to capture the properties of individual
molecules with optical simulations to capture the properties of functional
devices made from these molecular materials. We concentrate on chiral
properties and apply our work to UiO-67-BINOL MOFs, for which experimental
results are available to benchmark the results of our simulations and explore
the optical properties of cavities and metasurfaces made from that chiral
material.
