The Carbon Cycle Reimagined: Advanced CO₂ Capture, Quantum-Catalysed Conversion, and Energy-Efficient Processing

Babu, Bhagyam (2025) The Carbon Cycle Reimagined: Advanced CO₂ Capture, Quantum-Catalysed Conversion, and Energy-Efficient Processing. Masters thesis, Dublin, National College of Ireland.

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Abstract

This study presents an integrated framework aimed at addressing the pressing issue of rising atmospheric CO2 levels by combining quantum-enhanced catalyst discovery with intelligent energy management. For CO2 conversion, a hybrid quantum-classical machine learning pipeline was developed, leveraging 4-qubit quantum circuits to improve predictions of catalyst properties. This approach led to more accurate binding energy estimations across key transition metal surfaces such as Cu, Ni, and Pt, offering deeper insights into electronic structure-property relationships. The energy integration system models renewable energy generation, battery and hydrogen storage, and optimised energy dispatch using linear programming. Thermodynamic simulations validate the energy requirements for CO2

Item Type:	Thesis (Masters)
Supervisors:	Name Email Garg, Mohit UNSPECIFIED
Uncontrolled Keywords:	CO2 Conversion; Quantum Machine Learning; Catalyst Discovery; Renewable Energy Integration; Hybrid Quantum-Classical Systems; Energy Optimization
Subjects:	Q Science > Q Science (General) > Self-organizing systems. Conscious automata > Machine learning H Social Sciences > HC Economic History and Conditions > Natural resources > Power resources Q Science > QA Mathematics > Electronic computers. Computer science > Computer Systems > Computers > Electronic data processing > Quantum computing T Technology > T Technology (General) > Information Technology > Electronic computers. Computer science > Computer Systems > Computers > Electronic data processing > Quantum computing
Divisions:	School of Computing > Master of Science in Artificial Intelligence
Depositing User:	Ciara O'Brien
Date Deposited:	11 Aug 2026 15:21
Last Modified:	11 Aug 2026 15:21
URI:	https://norma.ncirl.ie/id/eprint/9496

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