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Global challenges such as the depletion of natural resources, climate change, imbalances in energy supply and demand, financial crises, and social inequalities have highlighted the necessity for fundamental transformations in socio-technical systems to achieve sustainability. This dissertation focuses on the energy sector as a key area for sustainable development and develops agent-based mathematical models grounded in evolutionary economics and the Multi-Level Perspective (MLP) framework to evaluate the mechanisms, dynamics, and policies effective in the transition process toward sustainability. Initially, the dissertation presents a model for assessing the transition to sustainability in...