The New Way to R&D

QuantistryLab is the world’s most intuitive cloud-native chemical simulation platform. Tailored for the design and discovery of novel chemicals and materials, QuantistryLab makes R&D intuitive, data-driven, and impactful. Move beyond traditional chemical simulation software and boost your R&D success. From Quantum to AI.

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Click & Simulate

Instantly access a broad spectrum of millions of chemical and material structures or upload your own customized model. You are now set to select and run your multiscale simulations—all with just a click.

Cloud-native Architecture

All In Your Web Browser

From the precision of quantum mechanics to the expansive scope of classical physics, and the insights driven by machine learning, harness the power of chemical and material predictions—no coding, no hassle.


From Quantum to AI

Dive deep into the atomistic world with QuantistryLab, where quantum meets multiscale simulations and AI. From atoms and electrons to complex systems, predict with quantum chemistry's precision, explore with force-field-based simulations, discover & design with AI.

The New Way To R&D

Discover. Predict. Design.

Take your R&D beyond trial and error and embrace The New Way to R&D. Drawing from decades of computational knowledge and deep scientific expertise, QuantistryLab offers tailored solutions to overcome your specific R&D challenges.

Start Simulating Now!

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

Why Quantistry?

  • Holistic

    From Quantum to AI

    Experience cutting-edge science with quantum-based simulations or discover & design with machine learning. From battery materials to semiconductors, hydrogen fuel cells to polymers, your challenge, your tool.

  • Empowering

    Real-World Use Cases

    By leveraging quantum-based simulations, multiscale modeling, and AI-driven insights, QuantistryLab empowers R&D to solve real-world use cases, offering unprecedented benefits to industries seeking sustainable solutions.

  • Experiential

    Click & Simulate

    Move beyond traditional chemical simulation software and embrace the sleek design of QuantistryLab. Drag & Drop, Click & Simulate to focus on what matters, your R&D challenges. For the expert users, our platform allows deeper exploration into technical settings. We are also happy to assist in integrating QuantistryLab into your existing system via our Restful API.

  • Enabling


    QuantistryLab's holistic approach enables the rapid testing and development of new chemicals and materials that are essential for a range of applications, from next-gen batteries and polymers to alloys and carbon capture. By focusing on sustainability and efficiency, QuantistryLab enables you to meet today's R&D challenges with tomorrow's solutions.

Trusted By

Gefördert vom Bundesministerium für Bildung und Forschung