First Steps¶
New to Mat3ra? This page outlines the essential steps to begin using the platform.
Running first simulations
The fastest way to get started is to follow the first simulation walkthrough (web interface) or the CLI job tutorial.
1. Log In¶
The platform is accessed through the login page. Two connection methods are available: the web interface and the command-line interface (CLI). More details are on the connection options page.
2. Create Materials¶
Material structures can be designed in the browser, uploaded from files (POSCAR, CIF, XYZ), or imported from third-party databases. For step-by-step instructions, see the materials design tutorials.
3. Set Up a Workflow¶
Workflows define the simulation logic — model, method, and software. Pre-built workflows for common properties are available in the workflows bank. For background on models and methods, see Key Concepts.
4. Run a Simulation¶
Configure compute parameters (queue, nodes, time limit) and submit the job. The platform supports multiple clusters including AWS and Azure. For a walkthrough, see Running First Simulations.
5. Analyze Results¶
Simulation data is automatically organized and searchable. Results can be viewed in the web interface or accessed programmatically via the REST API. The data convention describes how materials, workflows, and properties are stored.
Next Steps¶
| Goal | Where to go |
|---|---|
| Documentation overview and useful links | Content Highlights |
| Understand platform concepts | Key Concepts |
| Running first simulation (web) | Web Interface |
| Running first simulation (CLI) | Command Line |
| Follow step-by-step tutorials | Tutorials |
| Learn the web interface | User Interface |
| Understand models and methods | Concepts & Reference |
| Use the CLI for batch jobs | Command-Line Interface |
| Access the platform via code | REST API / Developers |
| Check pricing and service levels | Pricing |