“…Their use for knowledgebased engineering of surface-reactive systems [11,12], however, is currently hindered by the high computational cost [9,10,13,14] associated with the detailed chemical kinetics on the catalyst scale. Even if the timescales of surface reactions and the gas phase are separated via the steady-state approximation [10,[15][16][17][18], the surface kinetics pose a severe computational bottleneck [9,10,13,[19][20][21]. Therefore, there is huge interest in accelerating the kinetic calculations [9,10,22,23].…”