As for the challenges in the microkinetic part, our implementation with Julia allows to go beyond limitations in capacity as number of intermediates and reactions. Future improvements would require a strategy to include entropic contributions and a more detailed representation of the electrochemical events could be introduced. Clever CRN pruning strategies are needed particularly for very stiff ODEs to improve the predictive power and detailed rate and selectivity control tools can also be beneficial in unveiling important catalytic pathways. Finally, more complex reactor models able to capture relevant phenomena at the nanoparticle scale could be implemented.