#MaterialsModeling
LightNews LightNews
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟱.𝟮𝟴 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - pre-relax structures with Multiple MLFFs

MACE, Nequip, Mattersim, UMA, ChgNet

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
July 8, 2026 at 7:04 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟱.𝟮𝟴 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗔𝗱𝗱 (𝗮𝗻𝘆) 𝗡𝗲𝘄 𝟯𝗿𝗱-𝗽𝗮𝗿𝘁𝘆 𝗔𝗽𝗽𝗹𝗶𝗰𝗮𝘁𝗶𝗼𝗻𝘀 𝘁𝗼 𝗠𝗮𝘁𝟯𝗿𝗮

Available at docs.mat3ra.com/guide/tutori....

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
July 3, 2026 at 7:03 PM
mat3ra.bsky.social
🛠️ 𝗣𝗟𝗔𝗧𝗙𝗢𝗥𝗠 𝗥𝗘𝗟𝗘𝗔𝗦𝗘 — 𝟮𝟬𝟮𝟲.𝟲.𝟮𝟱

New in 2026.6.25: a tutorial for 3rd-party app support, a browser notebook with multiple MLFFs for structural relaxation, and new workflows for formation energy calculations.

👉 Try it for free at buff.ly/H60yAaS

#Mat3ra #MaterialsScience #materialsmodeling
July 1, 2026 at 7:02 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟱.𝟮𝟴 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗣𝘆𝘁𝗵𝗼𝗻-𝗯𝗮𝘀𝗲𝗱 𝗠𝗟𝗙𝗙𝘀, 𝗠𝗮𝘁𝘁𝗲𝗿𝗦𝗶𝗺, 𝗚𝗣𝗨 𝘀𝘂𝗽𝗽𝗼𝗿𝘁

Per the video tutorial below: buff.ly/KDDE6X0
Also available at buff.ly/iWVAkFi.

👉Try it for free at buff.ly/MK9vcY3

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science
June 5, 2026 at 7:02 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗝𝘂𝗽𝘆𝘁𝗲𝗿 𝗻𝗼𝘁𝗲𝗯𝗼𝗼𝗸𝘀 𝗳𝗼𝗿 𝗰𝗮𝗹𝗰𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀.

We started populating the api-example notebooks with example calculations.

👉 Try it for free at buff.ly/Dd6ORy5

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
May 15, 2026 at 7:04 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗣𝘂𝗯𝗹𝗶𝗰 𝗛𝗣𝗖 𝗰𝗼𝗻𝘁𝗮𝗶𝗻𝗲𝗿 𝗿𝗲𝗴𝗶𝘀𝘁𝗿𝘆

New registry ready to receive pull requests from new additions at github.com/Exabyte-io/a...

👉 Try it for free at buff.ly/Dd6ORy5

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsmodeling #science #technology
May 13, 2026 at 7:03 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗛𝟰𝗗 𝗶𝗻𝘀𝘁𝗮𝗻𝗰𝗲𝘀 𝗼𝗻 𝗚𝗼𝗼𝗴𝗹𝗲 𝗖𝗹𝗼𝘂𝗱

Per the screenshot below.

👉 Try it for free at buff.ly/Dd6ORy5

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
May 8, 2026 at 7:02 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - New Mat3ra-2D webinar episode

New Mat3ra 2D episode(s): www.youtube.com/watch?v=fyCq...

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
April 15, 2026 at 7:03 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - Jupyter notebooks for calculations.

We started populating the api-example notebooks with example calculations.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science
April 10, 2026 at 7:02 PM
mat3ra.bsky.social
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗛𝗢𝗠𝗢-𝗟𝗨𝗠𝗢 𝗲𝗻𝗲𝗿𝗴𝗶𝗲𝘀.

New property extractor for NWChem calculations:

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
April 8, 2026 at 7:04 PM
mat3ra.bsky.social
⚡️ Release 2026.3.26 highlights - LAMMPS.

Per the screenshot below.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
April 3, 2026 at 7:03 PM
mat3ra.bsky.social
🧠 Connecting Theory and Experiment with Mat3ra.com @ Pacific Northwest National Lab, 2026-02-24

Watch now: www.youtube.com/watch?v=lhN7...

Visit www.pnnl.gov/autonomous-s... for more information.

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling
Connecting Theory and Experiment with Mat3ra.com @ Pacific Northwest National Lab, 2026-02-24
This is a video recording of Timur Bazhirov presenting about Connecting Theory and Experiment with Mat3ra.com at the Pacific Northwest National Laboratory's Autonomous Science series on 2026-02-24.…
www.youtube.com
March 26, 2026 at 7:01 PM
mat3ra.bsky.social
Materials Meme of the week! 🔬

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
March 18, 2026 at 7:01 PM
mat3ra.bsky.social
📄 M-CODE: Materials Categorization via Ontology, Dimensionality and Evolution.

Applications-focused categorization of target structures with compact M-CODE tags.

Read the full article: arxiv.org/pdf/2602.14384

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling
March 13, 2026 at 8:02 PM
mat3ra.bsky.social
🎥 Mat3ra 2D, Part VI: Webinar 2026-2-25

Missed our live session on "Mat3ra 2D" earlier?

✅ Here's the recording of our webinar, for everyone can catch up at their own pace.

👉 Link: www.youtube.com/watch?v=OFPg...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling
Mat3ra 2D, Part VI: Webinar 2026-2-25
Recording of the Mat3ra.com webinar - Mat3ra 2D: Part VI - reproducing point defects from well-known publications. 0:00 Introductory Remarks from TB 1:38 Today's Agenda 3:12 The Software Stack…
www.youtube.com
March 11, 2026 at 8:03 PM
mat3ra.bsky.social
👋 March 17, 2026, Colorado

🧠 Design and Modeling of real-world 2D Materials and Interfaces for AI applications with "Mat3ra-2D"

More information at mat3ra.com/events-posts...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
March 10, 2026 at 8:02 PM
mat3ra.bsky.social
⚡️ Release 2026.2.26 highlights - M-CODE - Materials Categorization.

M-CODE - Materials Categorization via Ontology, Dimensionality and Evolution.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling #science
March 6, 2026 at 8:01 PM
mat3ra.bsky.social
⚡️ Release 2026.2.26 highlights - Adding any new applications with apptainer.

Link: www.youtube.com/watch?v=G1hf...

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
Mat3ra Tutorial: Build containerized applications with GPU support
Mat3ra Tutorial: Build containerized applications with GPU support How to build containerized applications with GPU support using Apptainer. Links: 1. Build containerized applications with GPU…
www.youtube.com
March 4, 2026 at 8:01 PM
mat3ra.bsky.social
Material of the Month.

Gallium Selenide bilayer decorated with Cobalt adatom (GaSe(001):Co_adatom), 2x2 unit cell.

Available in the Mat3ra platform in: platform-new.mat3ra.com/bank/materia...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling
February 18, 2026 at 8:01 PM
mat3ra.bsky.social
Materials Meme of the week! 🔬

Alright, alright, alright...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
February 11, 2026 at 8:02 PM
mat3ra.bsky.social
⚡️ Release 2026.1.22 highlights - Dedicated Button for Curated Bank Items.

Added a button enabling filter by "curated" items in Workfows Bank.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling #science #technology
February 4, 2026 at 8:03 PM
mat3ra.bsky.social
⚡️ Release 2026.1.22 highlights - Average Electrostatic Potential.

Added bank workflow for the calculation of average electrostatic potential.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling #science #technology
January 30, 2026 at 8:01 PM
mat3ra.bsky.social
⚡️ Release 2026.1.22 highlights - Valence Band Offset for Polar Interfaces.

We added an example workflow able to calculate Valence Band Offsets for Polar Interfaces.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #materialsscience #materialsdesign #materialsmodeling
January 28, 2026 at 8:01 PM
mat3ra.bsky.social
Material of the Month.

Gallium Nitride with Magnesium substitution (GaN: Mg_Ga), 2x2x2 supercell.

Available in the Mat3ra platform in: platform.mat3ra.com/bank/materia...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling#science #technology
January 16, 2026 at 8:02 PM
mat3ra.bsky.social
⚡️ Release 2025.12.25 highlights - Python-based workflow manipulation.

Added examples of python-based creation and manipulation of modeling workflows.

👉 Try it for free at mat3ra.com?utm_source=b...

#materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling
January 7, 2026 at 8:03 PM