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Template Center

Choose a workflow template, supply inputs and save your own templates.

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What templates do

Open Explore → Template Center. Workflow templates provide a set of nodes, connections and parameters as a starting point for your own calculation workflow.

To add reusable instructions and methods to research conversations, use the Skill Center.

Start a workflow from a template

  1. Choose all templates, official picks, recommendations or your own templates.
  2. Search by name, description or material, then filter by categories such as DFT, molecular dynamics, synthesis, knowledge retrieval or mixed orchestration.
  3. Open the details and read the description, tags and intended task.
  4. Select Use template to open your own workflow in Material Expert.

This provides a configuration to start from. Check structure files, node parameters and connections before execution. See Calculation workflows.

Adapt the template to your task

Rename the workflow, then inspect its nodes from input to output. Replace example structures and confirm downstream nodes reference the new input.

Treat default parameters as a starting configuration. Adjust methods, sizes and other settings, use Check, then supply this execution's inputs through Test run. Inspect outputs and execution status in Run history.

You can also ask the calculation assistant to explain the template before requesting specific changes.

Follow Create a silicon supercell to take a template through to a completed run.

Save your own template

Save the workflow in Material Expert first. Open Template Center → My templates → Add template, search and choose a workflow, then continue to its description and add the template.

Use up to 1,000 characters to describe suitable systems, required structures, adjustable parameters and expected outputs. Return to the workflow selector if you chose the wrong workflow.

A template uses the workflow's currently saved content. If you edit the canvas, confirm the draft is saved before adding a template for that configuration. Deleting a personal template does not delete existing workflows or release history.