Model the molecules and materials you couldn't before.

The properties that make a material useful are often the hardest to model, and today's simulations only get close. Xanadu's quantum algorithms compute them directly, in work already underway with Mitsubishi Chemical, Volkswagen, and Toyota.

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The Challenge

Today's simulations break down exactly where materials get interesting.

DFT and coupled-cluster get you close, then lose accuracy on the strongly correlated systems, excited states, and reactions far from equilibrium that decide real material properties. Ruling candidates in or out means months of synthesis and characterization.

Quantum computers represent these states natively, so you compute the property instead of approximating it. Xanadu already maps real industrial chemistry problems to fewer than 500 logical qubits, within reach of early fault-tolerant hardware.

How Xanadu Helps

Quantum simulation for your hardest materials problems

Semiconductor manufacturing materials
EUV lithography suffers radiation-induced blur, a secondary-electron effect today's simulations can't predict accurately. It caps yield at the next process node.
With Mitsubishi Chemical, Xanadu built a scalable quantum-simulation workflow for EUV photoresist chemistry, targeting a production-ready pipeline on early fault-tolerant hardware.
Higher-energy battery cathodes
The electron correlation inside lithium-rich cathodes sets capacity, safety, and lifespan. It's exactly what today's methods simplify away.
Xanadu has developed algorithms that model lithium-ion cathode structures in fewer than 500 logical qubits.
Photochemistry and catalysis
Light-driven processes like singlet fission for solar and photocatalysis depend on excited-state and coupled electronic-nuclear dynamics that today's methods can't reach.
Xanadu's algorithms simulate excited-state and pre-Born-Oppenheimer dynamics, opening simulation-driven design of photoactive materials.