Our kinetic approach to MC-MD provides a generalized, physically correct, and computationally efficient method for simulating a twolayered SEI structure from a model system and list of template reactions. While not reproducing exact dynamics on the atomic scale, we capture the important structural dynamical features on a nanometre level. The outer organic layer of the SEI contains mostly BDC 2-and EDC 2-bound by Li + . It forms via the nearshore aggregation mechanism, where continuous reduction of intact EC molecules at the anode and dimerization reactions away from it produces a heterogeneous SEI structure spanning ∼ 13 nm. While our reaction network considers only EC degradation paths, we also observe the beginnings of Li 2 CO 3 crystallization on the anode surface as part of the inner inorganic layer. In-clusion of PF - 6 decomposition paths in the production of fluoride-containing compounds will provide a more complete picture of the growth of an insulating inorganic matrix, of which LiF is a major component. Our reaction network is obtained by precharacterizing electrolyte degradation paths using automated transition-state searches based on DFT. The effects of explicit micro-solvation and implicit solvent can be captured and used to introduce kinetic corrections to our classical simulations through our generalized MC-MD method.