Modeling nearly exclusively uses ideal surfaces to model substrates in AS-ALD. However, such an ideal surface barely exists under highly controlled UHV conditions, not to speak of the conditions in a typical ALD reactor. Thus, treating these non-ideal surface conditions is a way forward toward modeling of more realistic environments. This can include surface defects, non-crystalline substrates, and oxidized surfaces. Every deviation from the ideal surface means a less ordered structure and, thus, a significant increase in modeling effort for the resulting larger unit cells in PBC computations. Furthermore, more information is required regarding the surface state under ALD conditions from experiments to set up more realistic computational models. What is not yet fully explored at the moment is considering the changing surface state under deposition conditions. While the initial inhibitor or precursor molecule sees a pristine surface, the next wave of adsorbates sees a precovered substrate. While this has been modeled in several coverage studies from a thermodynamic perspective, the influence on adsorption dynamics is still unknown. Furthermore, the changing surface condition after the onset of the ALD process