Computational and process chemistry, from the molecule to the plant.

Simulation, lab data and process analytics for chemical, materials and energy companies.

  1. Molecules

    We model molecules and reactions with quantum chemistry, to screen candidates before they reach the lab.

  2. Materials

    We simulate material properties, for example of catalysts, electrolytes and coatings.

  3. Lab data

    We connect instruments and lab records, so every result is findable and comparable.

  4. Process

    We analyze production data and support scale-up from the lab to the plant.

Typical work

  • Quantum-chemical and molecular simulation
  • Materials screening
  • Lab data integration
  • Process data analytics and scale-up

Evidence

Often combined with

A chemistry question that needs computing? Tell us the problem.

Contact us