Recently, the Delabie group showed that differences in surface diffusion can be used to achieve area-selective deposition. Thereby, the diffusion length of the precursor is larger on the NGS. Hence, the precursor diffuses from the NGS to the GS where it is then deposited. The group applied rate-equation mean-field modeling approaches to explain the nucleation and growth in this regime. Surface diffusion for selective deposition has also been used by Klement et al. with the help of surface modification. Notably, an atomistic picture of surface diffusion is possible using DFT or MD methods as has been applied successfully in fields like heterogeneous catalysis. The transfer of these methods towards AS-ALD modelling promises to provide a more microscopic picture of the precursor-surface interaction that is ultimately responsible for the differences in diffusion length, allowing for a fine-tuning of diffusion processes and, thus, selectivity.