Assuming a barrierless reaction with E a = 0 the highest rate following the definition would be 6.12 ps -1 . The time between two reaction steps is set to τ = 10 -1 ps in order to have a reaction probability smaller than unity. In total, N = 10 5 reaction steps are performed, corresponding to a total run time of the MD simulations of ∼ 10 ns. The input values used for the reaction barriers E a are derived from our previous work based on DFT-optimizations of solvation configurations and a brief summary and comparison to the experimentally known reduction potential of EC are given in the Supplementary Information.