The present work has shown that AIMD simulations are a suitable tool to study the intricacies of fluoride dynamic disorder, allowing for predictions of its occurrence as well as an understanding of its origins. Beyond furthering fundamental understanding of these complex host-guest systems, such calculations could be exploited to investigate the structure-directing effects of fluoride anions during zeolite synthesis. Whereas previous predictions of the phase selectivity among different possible zeolite frameworks have largely made use of static DFT calculations (possibly including thermal effects in the framework of the harmonic approximation), the use of AIMD simulations would allow for a direct inclusion of the role of temperature. Differences in the dynamic behavior of fluoride among different phases might have a subtle, but potentially nonnegligible effect on the relative stability and its temperature dependence. In addition to studies of zeolite crystal structures, it could also be interesting to investigate the behavior of fluoride anions in finite building units (individual cages or assemblies of cages), which could occur as precursors during zeolite formation. Naturally, these potential uses are not restricted to all-silica zeolites, but similar strategies could be applied to all zeolite-like materials that can be synthesized in the presence of fluoride.