CASE STUDY

Combatting environmental challenges

Many of nature's most important processes occur at the quantum level. Chemical reactions, the behaviour of electrons inside materials and the interactions between atoms are governed by quantum mechanics. Simulating these processes accurately using conventional computers quickly becomes extraordinarily difficult as molecules become more complex.

Quantum computers are designed to model quantum systems more naturally. While they will not replace laboratory experiments or classical computing, they have the potential to perform some molecular simulations much more efficiently, particularly when combined with conventional computing in hybrid workflows. This is regarded as one of the most promising long-term applications of quantum computing.

This could lead to faster discovery of materials with properties that would be extremely difficult to predict today. Rather than relying solely on lengthy trial-and-error experimentation, researchers could identify the most promising candidates computationally before moving to laboratory testing. This would potentially shorten research and development cycles, while reducing costs and accelerating innovation across multiple environmental technologies.

Many of the technologies needed to reduce greenhouse gas emissions depend on discovering entirely new materials or significantly improving existing ones. Quantum computing could help scientists understand the behaviour of these materials at the atomic level, enabling faster and more accurate design.

Potential applications include:

Advanced Batteries Longer-lasting, safer and higher-capacity batteries are essential for electric vehicles and renewable energy storage. Quantum simulations could help researchers identify improved electrode and electrolyte materials that increase energy density, reduce charging times and improve battery lifetime.

Next-Generation Solar Cells Today's photovoltaic materials convert only part of the Sun's energy into electricity. Quantum computing may accelerate the discovery of new semiconductor materials capable of improving solar cell efficiency while reducing manufacturing costs.

Materials for Carbon Capture Capturing carbon dioxide from industrial processes requires materials that selectively absorb CO₂, while remaining energy-efficient and cost-effective. Quantum chemistry could help design improved sorbents, catalysts and membranes for carbon capture technologies.

Lightweight Materials for Transport Reducing the weight of aircraft, ships and vehicles lowers fuel consumption and emissions. Quantum-enabled materials discovery may contribute to stronger, lighter composites and advanced alloys for aerospace, automotive and other transport applications. Future aircraft wings, for example, could combine exceptional strength with significantly reduced weight, improving fuel efficiency without compromising safety.

Sustainable Industrial Catalysts Many industrial processes rely on catalysts that speed up chemical reactions. Better catalysts could reduce the energy needed to manufacture chemicals, fuels, fertilisers and construction materials while lowering associated emissions. Quantum computing is widely regarded as a promising tool for catalyst design because catalytic reactions are fundamentally quantum mechanical.

Cleaner Manufacturing Quantum simulations could enable manufacturers to develop materials that are easier to recycle, require fewer scarce elements or consume less energy during production, contributing to more sustainable industrial processes.

Meeting global climate goals will require breakthroughs across energy generation, transport, manufacturing and industrial chemistry. Many of these advances depend on discovering new materials that are more efficient, more durable and more sustainable than those available today.

While quantum computing is still developing, it offers a promising new scientific capability for understanding materials at the atomic level, where many of these breakthroughs begin. Used alongside AI, laboratory experimentation and high-performance computing, quantum computing could help shorten the journey from scientific discovery to practical environmental technologies, accelerating innovation while reducing research costs and development time.

Future applications include:

• Optimising renewable energy generation and electricity grids.
• Planning wind farm and solar farm locations.
• Improving hydrogen production and storage technologies.
• Designing more efficient industrial chemical processes.
• Optimising recycling and circular economy supply chains.
• Reducing emissions through improved transport and logistics planning.
• Managing water resources and environmental infrastructure.

Many of these applications combine molecular simulation with optimisation, two areas widely recognised as among the strongest long-term opportunities for quantum computing.