The self-diffusion coefficients were extracted from the MD trajectories using an automated routine that locates the normal diffusion regime (⟨r 2 ⟩ ∝ t, see Figure ) in the mean squared displacement curve, as shown in Figure . Then, the selfdiffusion coefficients D µ calculated at different temperatures were adjusted to an Arrhenius expression (see Equation ), as shown in Figure . Finally, the fitted expression for D µ (T ) was input to the process-level models.