The Platform for Materials Discovery
A fully featured cloud platform to conduct materials research, tailored to your needs — whether industrial, academic, or educational.
A fully featured cloud platform to conduct materials research, tailored to your needs — whether industrial, academic, or educational.
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.
Start by easily creating, importing, editing, and viewing molecular systems interactively with the Materys 3D Molecular Builder
Simply run your desired simulations with a single click, or explore and configure advanced options for more detailed control on high-throughput materials screening
Analyze and visualize data to gain insights, accelerate your R&D workflow, and effectively communicate your findings
Easily store and retrieve all your data at any time. Your simulation data will be well-organized and readily searchable
Application Fields
Easily screen thousands of materials for semiconductor R&D
Predict conductivity, bandgap, crystal structure and more
Explore vast chemical spaces efficiently using automated workflows
Predict essential properties for advancing battery, fuel cell, and solar cell technologies
Conduct fast screening to quickly design and discover new advanced materials
Predict critical optoelectronic properties
Predict redox potentials and electron transfer kinetics to optimize materials performance
Guide electrocatalyst design and enhance energy storage solutions
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 interactions of polymers with solvents to predict stability, permeability and more
Calculate electronic and optical properties
Predict important characteristics and properties of inorganic materials with precision
Screen thousands of chemical compositions and calculate essential physical and chemical properties
Simulate spectras like IR, UV and Raman to enhance interpretation and reveal molecular insights
Calculate STM images to predict surface structures and guide experiments
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
