An inspection of the temperature evolution of the individual simulations showed that no significant "overshoot" in temperature occurred during this initial phase. Although a qualitative interpretation could be based on the visualization of individual frames from the AIMD trajectories alone, a more comprehensive picture can be obtained by looking at the evolution of relevant interatomic distances over time. As analogous observations were made for all three trajectories for H-FAU and H-MOR, a representative example trajectory is discussed here for each zeolite, and additional results are shown in the ESI (Figures S7 to S12).