Release 2026.6.25

Release 2026.6.25

Release 2026.6.25 introduces multiple new capabilities. We highlight (1) a new step-by-step tutorial demonstrating how third-party developers can add support to their software applications to the Mat3ra platform; (2) a new Jupyter notebook demonstrating how to use multiple universal forcefields - MACE, Microsoft Mattersim, Nequip, Facebook UMA, Chgnet, to do structural relaxation inside a web browser with no additional infrastructure needed, and (3) New jupyter notebooks and a platform Workflow demonstrating the calculations of formation energy for compounds.

Features

• A step-by-step Tutorial explaining how 3rd-party developers can add new applications to Mat3ra Platform
• [AX] Jupyter Notebook with multiple MLFFs: MACE, Mattersim, Nequip, UMA, ChgNet
• [Standata] Create WF for Formation Energy Calculation
• [Standata] Add elemental materials to Standata
• [Standata] Add ferromagnetic Fe compounds, Bi2Se3 topo insulator
• [AX] Add RDF to inform interface distance separation
• [Mat3ra-2D,Webinar] Season 2, Episode III - Electronic structure

Improvements

• Restructured the online documentation to highligh domains
• Accept ed25519, ecdsa keys for SSH communication
• [WA] Remove statusTrack repetition from Jobs to improve load times
• Enable Intel build of Quantum ESPRESO v7.5 \+ infiniband support
• Improve CIF parser to handle fractional occupations
• Fix/improve structure parser from espresso input file
• Add "Error" unit to show schema validation issues

Fixes

• Uncaught promise when attempt to delete default workflow
• (Materials, Jobs, Workflows) Set sharing

For Developers

• [DOC] Implement skip and until flags for google text-to-speech script used in documentation
• [AX] Drop support for Google Collab
• [AX,Wode] Helper to set values in QE input

Highlight 1: Add (any) New 3rd-party Applications to Mat3ra

Per the tutorial:

Available at https://docs.mat3ra.com/guide/tutorials/contribute-new-application/.

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Highlight 2: pre-relax structures with Multiple MLFFs

MACE, Nequip, Mattersim, UMA, ChgNet

Highlight 3: Formation Energy Workflow added.

We continue populating the api-example notebooks with example calculations per the visual below:

Highlight 4: Mat3ra-2D webinar, S2E3.

Band Structure, Band Gap, Density of States, including Hybrid Functionals, Magnetism, DFT+U:

Try the new functionality online at https://platform.mat3ra.com/

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