An important issue that goes beyond the development of appropriate electronic structure methods is that of conformational search and polymorphism. Because of the nature of the systems involved in thin films and electronic materials, considering a single geometrical configuration may not be sufficient. In fact, in many cases the material's structure is unknown and the effective signal is the sum of contributions form multiple polymorphs. Therefore, strategies for conformational searches will be necessary and spectra will be calculated for multiple configurations. These searches could be performed with classical molecular dynamics (MD) simulations or with other available protocols. Then, the relevant structures would be optimized at QM level in the ground state for ECD and possibly in the first excited state for CPL. In the excited state, one may find multiple minimum structures that could be accessible from these ground state conformers. However, in principle one would also need to consider the dynamics in the excited states directly, where multiple minima in the first excited state could be reached from a vertical excitation to a higher excited state from a particular ground state geometry. These other first excited state minima cannot be found with a direct geometry optimization from the ground state geometry. Instead, one would need to perform an MD simulation directly in the excited state. Perhaps, one could use excited state charges from a TDDFT to perform a classical MD simulation in the first excited state (similar to what is done for excited state molecules in solution). Although not necessarily accurate, this procedure may lead to multiple conformations in the first excited state that could be then refined with a QM geometry optimization. This protocol will obviously increase the overall computational cost as the DFT calculations will be repeated on multiple structures. However, the number of relevant configurations will be significantly smaller than those necessary when dealing with solution phase simulations.