Subsequently, two production runs (NVT#1 and NVT#2) were performed. Among the three ionic deep eutectic systems, LiBr-DES is the most viscous one. Therefore, comparatively longer simulation runs were performed for this DES. For the first NVT run (NVT#1), trajectories were saved in every 0.2 ps. This trajectory was used to calculate the rotational part of the dielectric relaxation spectra. For LiClO4-DES, and LiNO3-DES, these run spans were of 80 ns duration, while it was 130 ns for LiBr-DES. For each of these systems, 20 ns trajectories were saved at 0.02 ps time step (NVT#2) in order to better capture the short time dynamics.