Documentation

Mat3ra.com is an online platform for digital materials R&D. The platform offers a cloud-based interface for designing new materials, managing modeling and simulation workflows, performing simulations, and organizing results and data in a collaborative, accessible, and searchable way.

Browse by Section

Tutorials / Guide Step-by-step instructions for every part of the platform interface: tutorials, jobs, materials, workflows, and more.

Concepts / Reference In-depth explanations of models, methods, data structures, properties, and the science behind the platform.

Developer Docs REST API documentation, infrastructure details, data-on-disk layout, and developer-oriented resources.

Quick Start

New to Mat3ra.com? Start here:

• Run a first simulation (web interface)
• Run a first CLI job
• Content highlights

Popular Topics

• Access the platform: Platform access guide
• Jobs via CLI: Overview · Batch scripts (Overview, General structure, Directives, Working directory, Apptainer & Modules, Samples)
• Remote connection: SSH · Web Terminal · Remote Desktop
• Data locations and quotas: Data on disk: directories · Quotas
• Clusters: Overview · Cluster-101 (free tier) · AWS · Azure · GCP
• Materials: Overview · Import from files
• Models: DFT overview
• Properties: Overview · Band structure
• Workflows: Overview · Designer
• REST API: Overview

Support

The team responds to support requests within 24 hours during working hours (Pacific Time). See Help & Support for ways to get assistance.

Help improve the documentation

If something is missing or unclear, please open the Help & Support page and get in touch.