The Platform for Materials Discovery

A fully featured cloud platform to conduct materials research, tailored to your needs — whether industrial, academic, or educational.

illustration about a woman working with materials

Crafting Tomorrow’s Materials Today

Designing Materials at the Atomic Scale
with Materys

Run simulations for materials properties calculations, screening, or to generate invaluable data for your AI-driven materials science solutions — no infrastructure or costly software needed.

Materys

1. Create and Select Materials

Start by easily creating, importing, editing, and viewing molecular systems interactively with the Materys 3D Molecular Builder

2. Configure and Run

Simply run your desired simulations with a single click, or explore and configure advanced options for more detailed control on high-throughput materials screening

3. Analyze Data

Analyze and visualize data to gain insights, accelerate your R&D workflow, and effectively communicate your findings

4. Seamless Data Management

Easily store and retrieve all your data at any time. Your simulation data will be well-organized and readily searchable

Discover the Right Materials

Example Application Fields

Materys workflows are designed for a wide range of applications, helping you navigate the vast landscape of materials science.

Semiconductors

Semiconductors

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Easily screen thousands of materials for semiconductor R&D

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Predict conductivity, bandgap, crystal structure and more

Catalysis & Reactivity

Catalysis & Reactivity

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High-throughput automated workflows to discover new catalysts and reactants efficiently

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Discover the specifics of how chemicals react, what they choose to react with, and how precisely they do so

Spectroscopy & Microscopy

Spectroscopy & Microscopy

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Simulate spectras like IR, UV and Raman to enhance interpretation and reveal molecular insights

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Calculate STM images to predict surface structures and guide experiments

Thermal

Thermal

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Evaluate thermal conductivity, heat capacity, expansion coefficients for high-performance thermal management, energy efficiency and thermal stability

Optical

Optical

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Analyze refractive indices, absorption spectra, susceptibilities of transparent, reflective, or light-emitting materials

Surface Chemistry

Surface Chemistry

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Explore surface interactions, surface affinities, and chemical reactivity of large datasets of molecules

and more...

and more...

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If you require a specific use case, contact us and we will help!

Solutions

Materys provides powerful digital solutions for the development of next-generation materials

Materys Platform

Leverage powerful simulation capabilities with our simple, effective, and ready-to-use cloud applications, easily accessible through your browser

Services Integration

Integrate materials science solutions into your existing workflows and systems without worrying about IT and quantum chemistry complexities

Consulting

Utilize our expertise to achieve your goals through our consulting services and expert advice on materials science and quantum chemistry

Survey
Take our materials science survey
& be part of our beta program