Chemical Simulations for Specialty Chemicals

In specialty chemicals, cost-intensive research is part of day-to-day business. This is due to the considerable competitive pressure and the high costs for special applications, which are usually produced only temporarily and in small quantities. Our chemical simulations for specialty chemicals significantly relieve the burden on R&D, as they enable the cost-effective development of novel materials and pave the way for innovative solutions thanks to their ease of use.

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Atomistic Insights

Optimizing Chemical Reactions

To optimize reactions, deep insights into transition states and energy barriers are very valuable. Gain a better understanding of reaction mechanisms through simulations and develop more efficient solutions for your production.

Catalyst Screening

Improve Catalytic Performance

Use the Quantistry Lab to optimize the catalytic properties of your homogeneous or heterogeneous catalyst. Simulate for example the reaction paths on surfaces, in solutions or adsorptions strengths.

Mechanical Optimization

Evaluate Polymer Properties

Explore your material behavior in order to improve their performance under specific mechanical stress like compression or tension. With Young's modulus and Bulk modulus the Quantistry Lab offers simulations to easily analyze these properties.

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Experience The New Way To R&D. Schedule your free demo now and unleash the full potential of chemical simulations. From Quantum to AI.

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  • Experience QuantistryLab in action
  • Choose solutions customized to your R&D needs
  • Drag & Drop, Click & Simulate

Identify and Evaluate Reaction Paths

Chemical reactions are at the very basis of R&D in specialty chemicals. However, in most cases these are complex reaction networks which cannot be fully analyzed with experimental methods. When using our Quantistry Lab, you gain deep insights into possible reaction pathways and the associated transition states. This allows you to identify bottlenecks in the reactions, improve efficiency and create true innovation.


Surface Adsorptions

Our simulations can be used to gain fundamental insights into chemical reactions that can take place on surfaces. Simulate the adsorption of diverse molecules on surfaces, vary the material composition and investigate the reaction pathways. This will help you better understand not only adsorption, but also the catalytic properties of the materials. Use these insights for optimization and to develop new solutions.

Advantages of our Solution

  • Intuitive Web App

    Quantistry is made for all kind of experience levels. With only a few clicks you can optimize chemical reactions, design novel materials or predict their properties.

  • Browser-Based Solution

    All you need to access our cloud-based solution is an up-to-date web browser. There is no need for any kind of local installation, software updates or maintenance.

  • Pay-by-Use

    When you use our simulation platform, you only pay for the computing power you use, apart from a small annual fee. This makes your R&D highly cost-efficient.

  • Workflow Templates

    No need to reinvent the wheel: use existing use case-centric workflow templates or develop your own to work time efficiently.

  • Individual Compounds

    Upload your individual compounds and make them the subject of your analyses - under strictest security measures, of course.

  • Parallel Project Management

    Owing to cloud-based technology, you can run numerous projects and analyses simultaneously in the Quantistry Lab without risking delays.

Any Questions?

Jacek is happy to help!

[email protected] +49 (0)155 66 05 04 75