The computational cost of a simulation is driven by two factors: In the first reactive cycle, where each respective starting cell is identical in terms of atomic positions and bonding topology, a higher f VDW provides more candidates. This also influences sampling over time. Comparison of the curves shows that they do not simply scale with f VDW , but rather that they broaden as well. The number of candidates being found affects the competition in the sampling pool as well as the post-reaction MD lengths calculated with Eqn. (4), influencing the nanometre-scale structural dynamics of SEI growth over hundreds of reactive cycles (see Supporting Information). By increasing r crit , a more diverse candidate pool is maintained for longer, enhancing the ability of our stochastic Monte Carlo scheme to select for kinetically competitive reactions.