Dion-Jacobson perovskites are being actively researched for application in LEDs, but the difficulties with experimentally determining the structure of thin films are making insights gained from the relation of the structure to the characteristics of the material hard to come by. The practical solution is found by running computer simulations of material structures. Density functional theory (DFT), although the most widely used method for computation of material properties is not the right tool for finding the global minima of structures. Not only are DFT calculations of large systems computationally expensive, but finding the global minima of such systems using DFT are a couple of orders of magnitude more expensive. The solution to this problem is found in combining a classical potential and the minima hopping algorithm. For this master’s thesis a process for finding global minima of some Dion-Jacobson perovskite structures was made. This process includes the creation of approximate structures, calculations of the classical potential parameters and the minima hopping algorithm itself. The effect of minima hopping parameters on the algorithms reliability and speed in finding the global minima is analysed. Perovskite structures with three different molecules were constructed: 3AMP, 4AMP and HDA, on them we analyse the effect of initial assumptions in finding the global minima. Finally, the found structures are compared to DFT results and to experimentally available structures.