The EMD approach based on correlation functions and the Green-Kubo formalism is challenging for dense liquids because the cross-correlations required to calculate thermal diffusion are at least one order of magnitude smaller than the auto-correlation functions required to determine the self-diffusion coefficient. In a first step, EMD simulations were performed using the same simulation parameters as for the NEMD simulations (Table ). The resulting Soret coefficient data are provided in Figure and Table . In a second step, the simulation parameters were optimized to yield consistent data with the NEMD simulations.