Enterprise Quantum
for Chemicals & Materials

Quantum computing promises to accelerate the discovery of new chemicals and materials, such as high-temperature superconductors, more efficient batteries, and new solar cell materials. Even if it only increased efficiency by a realistic 5-10%, McKinsey estimates that quantum computing could add $20 billion to $40 billion in value for the industry each year.

Use Cases

A selection of chemicals and materials quantum use cases.


Simulation & Modeling



  • Process optimization in chemical reaction networks
  • Alloy analysis
  • Manufacturing process optimization

Simulation & Modeling

Simulation & Modeling

  • Transition energy prediction
  • Quantum-enhanced force-field methods for chemical dynamics simulation
  • Homogeneous and heterogeneous catalysis modeling
  • Predicting chemical kinetics
  • Ab initio simulations to accelerate materials discovery (e.g., Li-ion electrolytes/electrodes, photovoltaics, catalysts, alloys)

Featured Resources

Our Platform

Orquestra® Benefits for Chemicals and Materials

Orchestration Across Environments

Leverage the quantum and other heterogenous classical compute resources best suited for your tasks, without getting locked into any one hardware platform. Deploy across hybrid backends at enterprise scale.

Data Management & Velocity

Store, retrieve, and analyze large datasets. Streamline data management from ingestion to export to accelerate data velocity.

Open Framework

Keep what works now. Integrate existing and future solutions with a framework optimized for extensibility, interoperability, and innovation.

Workflow Development and Deployment

One unified platform to go from research to development to deployment with extensible, scalable, modular workflows.

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