While computational modeling can provide insights into AS-ALD processes by itself, the crucial question is whether it can help understand experimental results and predict new avenues. The direct connection between ab initio computations and lab-scale experiments is difficult here since the direct computation of typical experimentally measured properties like growth rate, nucleation delays, or morphology is not possible. Instead, the connection between theoretical investigations on the atomic level and lab-scale experiments is mostly made via validating or revising hypotheses stemming from the experimental results.