Artificial intelligence (AI) is revolutionizing the landscape of Carbon Capture and Utilization (CCU) technologies, providing innovative tools to address climate change and achieve sustainable energy transitions. This chapter elucidates how AI aligns with and enhances the key objectives of CCU: increasing operational efficiency, scaling industrial applications, and promoting environmentally sustainable practices. By employing advanced machine-learning models and predictive algorithms, AI enables significant breakthroughs in optimizing CO2 capture processes, such as enhancing material performance, improving separation precision, and reducing energy consumption. Furthermore, AI transforms CO2 utilization by discovering and refining pathways to convert carbon dioxide into high-value products, including fuels, polymers, and industrial chemicals. Through detailed analysis, the chapter demonstrates how AI facilitates the design of more effective catalysts, predicts reaction outcomes with unprecedented accuracy, and accelerates the deployment of economically viable CCU systems. In addition, the role of AI in addressing data integration challenges, improving process automation, and enhancing decision-making frameworks is thoroughly examined. These capabilities position AI as a tool for operational improvements and a transformative enabler for achieving global carbon neutrality. By clearly linking AI’s potential to the overarching goals of CCU, the chapter provides a forward-looking perspective on leveraging AI as a strategic driver for innovation and sustainability in the energy sector.