A comprehensive cloud-based solution for materials science research, designed to meet the needs of industry professionals, academic researchers, and educational institutions.


Precision materials engineering from atomic design
to industrial applications
Perform comprehensive materials property simulations and analysis, conduct screening studies, and collect critical research data — all without the need for complex infrastructure or expensive software.
Design and model complex molecular structures with our intuitive 3D molecular builder - import, modify, and visualize materials with professional-grade tools
Execute sophisticated materials simulations effortlessly - from simple calculations to complex high-throughput screening with comprehensive parameter control
Gain deeper insights from your research data with advanced visualization and analysis tools that enhance discovery and facilitate collaboration
Organize, store, and access all your materials research data in one centralized platform - keeping your workflow efficient and your findings readily available
Example Application Fields
Materys workflows are designed for a wide range of applications, helping you navigate the vast landscape of materials science.
Easily screen thousands of materials for semiconductor R&D
Predict conductivity, bandgap, crystal structure and more
High-throughput automated workflows to discover new catalysts and reactants efficiently
Discover the specifics of how chemicals react, what they choose to react with, and how precisely they do so
Simulate spectras like IR, UV and Raman to enhance interpretation and reveal molecular insights
Calculate STM images to predict surface structures and guide experiments
Evaluate thermal conductivity, heat capacity, expansion coefficients for high-performance thermal management, energy efficiency and thermal stability
Analyze refractive indices, absorption spectra, susceptibilities of transparent, reflective, or light-emitting materials
Explore surface interactions, surface affinities, and chemical reactivity of large datasets of molecules
If you require a specific use case, contact us and we will help!
Materys provides powerful digital solutions for the development of next-generation materials
Leverage powerful simulation capabilities with our simple, effective, and ready-to-use cloud applications, easily accessible through your browser
Integrate materials science solutions into your existing workflows and systems without worrying about IT and quantum chemistry complexities
Utilize our expertise to achieve your goals through our consulting services and expert advice on materials science and quantum chemistry
We trust leading technologies to deliver the best performance and reliability