In order to investigate the peculiarities of the aggregation processes in ferrofluids in a Quasi-2D geometry, a combination of density functional theory (DFT) and molecular dynamics (MD) simulations is presented. The microstructure formation in monodisperse ferrofluid monolayers is studied thoroughly through a comparison of the theoretical, and computational results. Theoretical and simulation results show similar trends which renders the theoretical approach a useful tool to get insight into the microstructure formation in monolayers.