Two fundamental aspects to consider in MKM simulations are the absolute and relative tolerances (atol and rtol) applied at each integration step, and the definition of the steady-state termination event. Initial atol and rtol are conservatively set to 10 -16 and 10 -8 . These values are iteratively increased by the solver in case it fails to converge. Steady-state is reached when the sum of the absolute derivatives of the species surface coverage is less than 10 -10 (Supplementary Fig. ). Fallback strategies are additionally available to facilitate the convergence of microkinetic simulations showing high stiffness and to reduce the total computational time.