In general, xTB methods are available for a wide range of applications similar to those of KS-DFT, but at a reduced computational cost and a compromise on the accuracy. Geometry optimizations present one of the primary applications, either for obtaining initial structure guesses, for instance, preoptimizing solventsolute clusters, screening numerous geometries to, for example, identify a global minimum from thousands of isomer structures, or tackling systems where KS-DFT is no longer feasible, such as in describing large oligomer structures. Furthermore, the accessibility of analytical energy derivatives (forces) enables the calculation of Hessians to characterize the potential energy surface (PES) and to compute thermo-statistical corrections to free energy. The latter was employed, for instance, to calculate the free energy of compounds relevant to photochemical reactions. Additionally, the impact of solvation, crucial for accurate free energy calculations, can be readily integrated implicitly across all previously mentioned applications, enabling the computation of free energies in solution.