AI Solutions
for Chemicals & Materials

AI, quantum techniques and other Big ComputeTM promise to reduce waste and 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

Applications for Chemicals and Materials

Computational Chemistry

Chemical Manufacturing

Supply Chain, Logistics and Shipping

Computational Chemistry

Chemical Manufacturing

Supply Chain, Logistics and Shipping

Key Challenges

  • Navigating the large design spaces in chemical and material synthesis and processing
  • Accurately simulating large quantum systems 
  • Developing more efficient catalysts
  • Predicting chemical kinetics and dynamics for new molecules
  • Calculating quantum properties of strongly correlated systems 

Zapata Solutions

Chemical and Material Simulation

Discover and test new chemicals and materials using quantum chemical simulation, including stronger materials, lighter batteries, and more efficient catalysts.

Alloy Analysis

Predict macroscopic properties of alloys and structural materials using multi-scale modeling and quantum-inspired machine learning.

Catalysis Modeling

Model homogenous and heterogenous catalysis using electronic structure calculations.

Excited State Property Prediction

Predict excited state properties for materials relevant to applications such as OLEDs and photovoltaics.

Chemical Dynamics Simulation

Simulate chemical dynamics and kinetics using quantum-enhanced force-field methods and electronic structure calculations.

Use Case Timeline (est.)

Orquestra® Benefits for Chemicals and Materials

Orchestration Across Environments

Leverage the heterogenous 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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