Modeling Impurity Effects in Graphene Quantum Dots: A Python Framework for Impurity‐Induced Valley Splitting and Quantum Transport

We present a Python based open‐source framework to model impurity effects in graphene quantum dots (GQDs). The framework integrates tight‐binding and continuum Dirac models to simulate Coulombic and magnetic impurity potentials, enabling detailed analysis of valley splitting, local density of states (LDOS), and quantum transport phenomena. Case studies on off‐plane donor atoms and magnetic adatoms demonstrate how impurity positioning and type influence resonance features, charge relaxation times, and Fano factors. The framework serves as a versatile tool for designing grapheme based quantum devices and exploring impurity engineered functionalities.