Our main focus is the analysis of point-defects in Wide Band Gap semiconductors. We first study them from first principles through the use of ab initio methods based on Density Functional Theory, and then utilize other means of analysis for finding possible applications in the realm of nanoelectronics (defect-free Al2O3/AlGaN capacitors) or Quantum Technologies (point-defects in 4H-and 3C-SiC having a large decoherence time). Eg, after a defect’s model Hamiltonian ab initio calibration, we shed light on the coherent dynamics of such systems (in the bulk or confined in 3D nanostructures). The defects’ atomic structures are wellcharacterized and optimized during the calibration phase by using the Quantum Espresso code. Silicon Carbide and Gallium Nitride are the Wide Band Gap semiconductors we study from the point of view of Quantum Technologies and nanoelectronics, respectively. For what concerns nanoelectronics, we examine the deleterious effect Frenkel defects could play in Al2O3/AlGaN junctions. Al2O3/AlGaN Metal Oxide Semiconductor capacitors show a hysteretic behavior in their Capacitance vs Voltage characteristics, often attributed to near-interface traps deriving from defects within the oxide layer. The origin as well as the structural/electronic properties of such defects are still strongly debated in the literature. In our research we use ab initio molecular dynamics and the climbing-image nudged elastic band method to show that Aluminum