Computational Services

Design, screening, and property calculations

We are deeply invested in the design and discovery of novel materials with desirable physiochemical properties. We aim at accurate and highly customised solutions by state-of-the-art quantum chemical approaches.

Check out what we can help you with:


    • Structural manipulation and database generation using automated tools.
    • Machine learning (ML) to rapidly and accurately predict structures and properties.
    • Computational spectroscopy services for molecule fingerprinting such as IR spectra, EPR and NMR.

Get inspiration and discover!
Power you ideas via cloud computing!

Use our cloud- and AI-powered services to explore the chemical space of your catalytic scaffold.