

Mat3ra Documentation¶

Mat3ra is a cloud-native accessible and collaborative platform for materials modeling from the atomic scale. Our platform makes it easier for scientists, engineers, and researchers to design new materials and predict their properties using first-principles approaches and AI/ML techniques.

First-principles approach does not require any knowledge of experimental observations, instead solely takes into account the atomistic description of material (e.g., constituent atoms, crystal structure, lattice constant, etc.) to compute desired properties thanks to Density Functional Theory and its numerical implementations. When enough data is present, the AI/ML techniques can be applied to discover trends and accelerate predictions. Our platform also helps users collaborate, share and gather obtained knowledge with others.

The present documentation explains how the platform works in detail.

Quick start¶

You can skip straight to our tutorial summarizing first steps. There you will learn how to set up and run density functional theory calculation to obtain electronic band structure of silicon, a semiconducting material widely used in making electronic chips.

Searching¶

If you are looking for a specific topic of interest, please use the search box on top to quickly locate relevant pages.

The Links section below lists resources containing more in-depth explanations about what we are building and why¹ and example case studies².

Contents¶

The navigation bar on the left serves as the table of contents for the whole documentation while the table of contents on the right lists content headers under the current page. You may click on any top-level items on the left sidebar to expand the corresponding section. The content highlights page has a brief overview of various features available in Mat3ra platform and links to them.

Support¶

We reply to support requests within 24 hours. Our team can be contacted during working hours Pacific Time through:

Email: support@mat3ra.com
Phone: +1 (510) 473-7770
Via web widget: click Support button at the bottom of our web application.

Let us hear your feedback

In case you find that something is missing or if you still have questions after reading this documentation, please contact us.