CASE STUDY 5 Quantum computing Advancing quantum computational materials design of metalorganic frameworks for carbon capture applications Adsorbents largely determine carbon-capture performance. Metal-organic frameworks (MOFs) – recognized by the 2025 Nobel Prize in Chemistry – are promising because their porous, tuneable lattices enable strong, selective CO2 uptake. Electrochemical CO2 capture can cut regeneration energy, yet predicting MOF adsorption at scale remains difficult: subtle, many-body interactions force a speed-accuracy trade-off in classical simulations. TotalEnergies and Quantinuum publicly described a workflow that studies CO2 binding in an Al fumarate MOF by breaking the problem into smaller building block models and inserting a quantum step where the hardest chemistry appears. Rather than attempting to simulate an entire porous crystal, the approach focuses on the active site that captures CO2 and treats the surrounding framework with established classical methods, then compares results against high level classical benchmarks to understand where the quantum component helps and where it still falls short. Key benefits reported so far are a repeatable research, clearer visibility into what must improve before it can scale up, and a practical path toward more predictive sorbent modelling as devices and software become more dependable.9CASE STUDY 4 Quantum computing Optimizing maritime inventory routing (VRP or vehicle routing problem, with time windows) for LNG shipping using hybrid quantum-classical optimization to reduce routing cost and improve delivery reliability LNG shipping and other bulk maritime supply chains face tightly constrained routing and scheduling: vessels must satisfy port time windows, capacity and safety constraints, and inventory balance across multiple terminals over a planning horizon. Because routing decisions and inventory feasibility are coupled (the classic maritime inventory routing structure), the problem scales up quickly beyond what “plain exact solving” can handle without decomposition and heuristics, making it a natural target for experimentation with new optimization paradigms. ExxonMobil and IBM Research have publicly documented a collaboration focused on casting maritime inventory routing as vehicle routing with time windows and then analysing which mathematical formulations are most suitable for execution in quantum or hybrid workflows. Their published work discusses quadratic unconstrained binary optimization or QUBO-style encodings and references quantum optimization methods commonly explored for near-term devices. IBM’s case-study framing describes this as laying a foundation for “practical solutions” rather than reporting a deployed production optimizer. Key benefits would include lower fuel and demurrage costs, improved fleet utilization and more reliable “right- time” deliveries; however, the public record supports R&D/ prototype formulation and benchmarking, While not yet at operational scale, these efforts provide the mathematical foundation for future quantum-advantaged logistics.8 15 Quantum for Energy and Utilities: Key Opportunities for Energy Transition

Quantum for Energy and Utilities 2026