
The AI-ready collaborative platform driving the #DigitalTransformation of #materials and #chemicals R&D through #modeling and #machinelearning.
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Joined November 2018
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Welcome to the Era of Digitally-Engineered Mat3rials!
Thank you @WSJ + @newsient for sharing the news about our $3M seed round, solid growth + how our platform accelerates #RnD of #materials and #chemicals!
ow.ly/VprM50HMwJM
๐ ๐ช๐ฒ'๐ฟ๐ฒ ๐๐ถ๐ฟ๐ถ๐ป๐ด ๐ฎ๐ ๐ ๐ฎ๐๐ฏ๐ฟ๐ฎ
Let's make Iron Man's Digital Materials R&D experience a reality together.
โ๏ธ Computational Materials Scientist
apply.workable.com/mat3ra/j/โฆ
Bridge materials/chemistry, data science, and computer science: apply nanoscale modeling across large sets of materials, surfaces, and reaction pathways; organize simulation and experimental data; build AI approaches on top of it.
๐งโ๐คโ๐ง Community Evangelist
apply.workable.com/mat3ra/j/โฆ
For outgoing scientists/engineers who want to grow a vibrant global community: identify pathways for community growth, prepare case studies and technical content, deliver it, and measure KPIs.
All open positions: apply.workable.com/mat3ra/
#Mat3ra #Hiring #JobOpenings #MaterialsScience #ComputationalMaterials
๐ฌ ๐จ๐ฝ๐ฐ๐ผ๐บ๐ถ๐ป๐ด ๐ช๐ฒ๐ฏ๐ถ๐ป๐ฎ๐ฟ: ๐๐น๐ฒ๐ฐ๐๐ฟ๐ผ๐ป๐ถ๐ฐ๐ โ ๐๐ฎ๐ป๐ฑ ๐ข๐ณ๐ณ๐๐ฒ๐ + ๐ฆ๐ฐ๐ต๐ผ๐๐๐ธ๐ ๐๐ฎ๐ฟ๐ฟ๐ถ๐ฒ๐ฟ
Join us October 28 for Mat3ra 2D, Season 2, Episode VII: Electronics โ Band Offset + Schottky Barrier.
This session demonstrates how to compute electronic interface properties โ band offset and Schottky barrier โ using Quantum ESPRESSO from JupyterLab notebooks on the Mat3ra platform. We'll cover practical workflows for obtaining and interpreting band alignment and carrier-injection barriers from atomistic simulations, with examples including HfOโ(001)/Si(001) and MoSโ/Au(111) interfaces.
Presenter: Vsevolod (Seth) Biryukov, Scientific Software Engineer
Host: Timur Bazhirov
Language: English
๐๏ธ October 28, 2026 โ 07:30 PDT / 10:30 EDT / 14:30 GMT / 15:30 CET / 16:30 EET / 20:00 India / 22:30 Singapore / 23:30 Japan
๐ Online via Zoom
Register to attend: mat3ra.com/events-posts/mat3โฆ
#Mat3ra #Webinar #MaterialsScience #DFT #QuantumESPRESSO #Semiconductors
๐ ๐ฅ๐ฒ๐๐ฒ๐ฎ๐ฟ๐ฐ๐ต ๐ช๐ฒ ๐๐ผ๐๐ฒ: ๐๐น๐ฒ๐ฐ๐๐ฟ๐ผ๐ป ๐๐บ๐ฎ๐ด๐ถ๐ป๐ด ๐ถ๐ป ๐ฆ๐ฒ๐บ๐ถ๐ฐ๐ผ๐ป๐ฑ๐๐ฐ๐๐ผ๐ฟ๐ & ๐๐ถ๐๐ฐ๐ผ๐๐ฒ๐ฟ๐ ๐๐ผ๐ผ๐ฝ
๐ ๐ก๐ฒ๐ ๐๐น๐ผ๐๐ฒ-๐จ๐ฝ ๐ฉ๐ถ๐ฒ๐ ๐ผ๐ณ ๐๐น๐ฒ๐ฐ๐๐ฟ๐ผ๐ป๐ ๐๐ป๐๐ถ๐ฑ๐ฒ ๐ฆ๐ฒ๐บ๐ถ๐ฐ๐ผ๐ป๐ฑ๐๐ฐ๐๐ผ๐ฟ๐
Berkeley Lab combined atomic-scale imaging (scanning tunneling microscopy) with Quantum Monte Carlo simulations to directly observe how electrons interact with defects in 2D semiconductors like molybdenum diselenide โ some defects act like "potholes," others like "speed bumps," as electrons shift between an ordered Wigner solid and a disordered Fermi liquid state. Published in Nature.
Authors: Mike Crommie, Feng Wang, et al. (UC Berkeley / Berkeley Lab, with Flatiron Institute, UC, University of New Mexico, Hofstra University, Arizona State University, and NIMS Japan)
๐ Source: newscenter.lbl.gov/2026/09/1โฆ
โโโโโโโโ โข โโโโโโโโ
๐๐ป๐๐ฟ๐ผ๐ฑ๐๐ฐ๐ถ๐ป๐ด ๐๐ถ๐๐ฐ๐ผ๐๐ฒ๐ฟ๐ ๐๐ผ๐ผ๐ฝ
A new AI startup founded by four Google AI veterans โ Jeff Dean, Sanjay Ghemawat, Quoc Le, and Oriol Vinyals โ aiming to automate the experimental loop of scientific and engineering research, running thousands of experiments in parallel with frontier AI models and compute infrastructure.
Authors: Jeff Dean, Sanjay Ghemawat, Quoc Le, Oriol Vinyals
๐ Source: discoveryloop.com/
#AIforScience #MaterialsScience #Semiconductors #Research
โ๏ธ Mat3rials 3xplorer.
๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ ๐ฏ๐ฒ๐๐๐ฒ๐ฒ๐ป ๐ฆ๐ถ๐น๐ถ๐ฐ๐ผ๐ป ๐๐ฎ๐ฟ๐ฏ๐ถ๐ฑ๐ฒ ๐ฎ๐ป๐ฑ ๐๐ฎ๐น๐น๐ถ๐๐บ ๐ก๐ถ๐๐ฟ๐ถ๐ฑ๐ฒ (๐ฆ๐ถ๐(๐ฌ๐ฌ๐ญ)/๐๐ฎ๐ก(๐ฌ๐ฌ๐ญ)), ๐๐๐ฟ๐ฎ๐ถ๐ป-๐บ๐ฎ๐๐ฐ๐ต๐ถ๐ป๐ด ๐๐๐ฝ๐ฒ๐ฟ๐ฐ๐ฒ๐น๐น.
Available online in our materials bank:
platform.mat3ra.com/bank/matโฆ
#mat3rials3xplorer #materialsscience #mat3ra #Semiconductors #DFT
๐๏ธUpcoming Webinar on Band Offset and Schottky Barrier, October 28th, Tokyo Materials Cafe, and AI 2 Science Happy Hour - mailchi.mp/02363a4ded8d/joinโฆ
๐ฐ ๐๐ป๐ฑ๐๐๐๐ฟ๐ ๐ก๐ฒ๐๐: ๐๐ถ๐ด๐ต๐-๐ฆ๐๐ฒ๐ฒ๐ฟ๐ถ๐ป๐ด ๐๐ต๐ถ๐ฝ๐ & ๐๐-๐๐ผ๐ป๐๐ฟ๐ผ๐น๐น๐ฒ๐ฑ ๐๐๐๐ถ๐ผ๐ป
๐๐ฎ๐น๐๐ฒ๐ฐ๐ต'๐ ๐๐ถ๐ป๐ ๐ป๐ฒ๐ ๐ฐ๐ต๐ถ๐ฝ ๐ฐ๐ฎ๐ป ๐๐๐ฒ๐ฒ๐ฟ ๐น๐ถ๐ด๐ต๐ ๐ถ๐ป ๐ณ๐ฐ ๐พ๐๐ฎ๐ฑ๐ฟ๐ถ๐น๐น๐ถ๐ผ๐ป๐๐ต๐ ๐ผ๐ณ ๐ฎ ๐๐ฒ๐ฐ๐ผ๐ป๐ฑ
A new all-optical device uses a nanoscale silicon metasurface โ pillars smaller than the laser's wavelength โ to redirect one light beam with another via the optical Kerr effect. The result: light steering nearly a million times faster than conventional methods, opening the door to faster photonic communications, computing, and sensing.
๐ Source: sciencedaily.com/releases/20โฆ
โโโโโโโโ โข โโโโโโโโ
๐๐ ๐ฐ๐ฎ๐ป ๐ป๐ผ๐ ๐ฐ๐ผ๐ป๐๐ฟ๐ผ๐น ๐ณ๐๐๐ถ๐ผ๐ป ๐ฝ๐น๐ฎ๐๐บ๐ฎ ๐ณ๐ฎ๐๐๐ฒ๐ฟ ๐๐ต๐ฎ๐ป ๐ต๐๐บ๐ฎ๐ป๐ ๐ฐ๐ฎ๐ป ๐ฟ๐ฒ๐ฎ๐ฐ๐
Princeton researchers built PACMAN, a machine-learning framework that monitors and controls fusion plasma roughly 50x faster than a human operator can react. Tested on the DIII-D tokamak, it predicted a damaging instability 200 milliseconds in advance and prevented it โ a meaningful step toward stable, continuous fusion reactions.
๐ Source: sciencedaily.com/releases/20โฆ
#IndustryNews #Photonics #FusionEnergy #AI #MaterialsScience
๐๏ธUpcoming Webinar on Band Offset and Schottky Barrier, October 28th, Tokyo Materials Cafe, and AI 2 Science Happy Hour - mailchi.mp/62a13e1ad576/joinโฆ
๐ป ๐ฅ๐ฒ๐น๐ฒ๐ฎ๐๐ฒ ๐๐ถ๐ด๐ต๐น๐ถ๐ด๐ต๐: ๐๐ถ๐น๐ฒ ๐จ๐ฝ๐น๐ผ๐ฎ๐ฑ๐ ๐๐ถ๐ฎ ๐๐ต๐ฒ ๐ฅ๐๐ฆ๐ง ๐๐ฃ๐
Release 2026.9.24 adds file uploads to the external REST API: the account's object storage ("Dropbox") is now writable, and compute nodes read directly from it.
Text files travel inside the request; larger or binary files โ model checkpoints, archives, pseudopotentials โ go to a signed URL straight to storage. The example notebooks already use this to ship custom scripts and data files with a workflow. A second new endpoint changes the type of an entity set, for example to an ordered material set.
Explore Release 2026.9.24: mat3ra.com/news-and-blog-posโฆ
๐ Try it for free at mat3ra.com/?utm_source=twittโฆ
#Mat3ra #API #DeveloperTools #ComputationalMaterials #CloudComputing #MaterialsInformatics
โ๏ธ Mat3rials 3xplorer.
๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ ๐ฏ๐ฒ๐๐๐ฒ๐ฒ๐ป ๐ฆ๐ถ๐น๐ถ๐ฐ๐ผ๐ป ๐ฎ๐ป๐ฑ ๐๐น๐๐บ๐ถ๐ป๐๐บ (๐ฆ๐ถ(๐ญ๐ญ๐ญ)/๐๐น(๐ญ๐ญ๐ญ)), ๐๐๐ฟ๐ฎ๐ถ๐ป-๐บ๐ฎ๐๐ฐ๐ต๐ถ๐ป๐ด ๐๐๐ฝ๐ฒ๐ฟ๐ฐ๐ฒ๐น๐น.
Available online in our materials bank:
platform.mat3ra.com/bank/matโฆ
#mat3rials3xplorer #materialsscience #mat3ra #Semiconductors #DFT
๐ฌ ๐ฅ๐ฒ๐น๐ฒ๐ฎ๐๐ฒ ๐๐ถ๐ด๐ต๐น๐ถ๐ด๐ต๐: ๐๐ผ๐ฟ๐ผ๐ป ๐ฉ๐ฎ๐ฐ๐ฎ๐ป๐ฐ๐ ๐ถ๐ป ๐๐ฒ๐
๐ฎ๐ด๐ผ๐ป๐ฎ๐น ๐๐ผ๐ฟ๐ผ๐ป ๐ก๐ถ๐๐ฟ๐ถ๐ฑ๐ฒ
Release 2026.9.24 adds a new tutorial calculating the formation energy of a neutral boron vacancy in h-BN using Quantum ESPRESSO.
The result is compared against the QPOD database of quantum point defects in 2D materials (Bertoldo et al., npj Computational Materials, 2022), building on the platform's existing tutorial for creating the defective structure.
Explore Release 2026.9.24: mat3ra.com/news-and-blog-posโฆ
๐ Try it for free at mat3ra.com/?utm_source=twittโฆ
#Mat3ra #DefectFormationEnergy #hBN #2DMaterials #DFT #QuantumESPRESSO
๐ ๐ญ๐ต ๐ฑ๐ฎ๐๐ ๐ถ๐ป ๐๐ฎ๐ฝ๐ฎ๐ป. ๐ข๐ป๐ฒ ๐ถ๐ฑ๐ฒ๐ฎ: ๐ฐ๐น๐ผ๐๐ฒ ๐๐ต๐ฒ ๐น๐ผ๐ผ๐ฝ ๐ฏ๐ฒ๐๐๐ฒ๐ฒ๐ป ๐ฐ๐ผ๐บ๐ฝ๐๐๐ฎ๐๐ถ๐ผ๐ป ๐ฎ๐ป๐ฑ ๐ฒ๐
๐ฝ๐ฒ๐ฟ๐ถ๐บ๐ฒ๐ป๐
From September 14 to October 2, the Mat3ra team travelled across Tokyo and Tsukuba to meet the universities and companies shaping the future of materials R&D.
What the trip included:
๐ฌ JPS Annual Meeting at the University of Tokyo (Booth 3-2): bringing physics-based computation to the browser
๐ค Material Technology Market at Artience's Incubation CANVAS TOKYO
๐ Faculty and labs at the University of Tokyo and Science Tokyo
๐ญ Meetings with ENEOS, Sekisui Chemical, CTC, Resonac and NVIDIA
โ๏ธ A Memorandum of Understanding with the University of Tsukuba Center for Computational Sciences (CCS)
The common thread: closing the loop between computation, AI/ML and experiment with Materials R&D Cloud.
๐ Read the full story:
mat3ra.com/news-and-blog-posโฆ
#Mat3ra #Japan #MaterialsScience #AIforScience #Partnership
๐งฒ ๐ฅ๐ฒ๐น๐ฒ๐ฎ๐๐ฒ ๐๐ถ๐ด๐ต๐น๐ถ๐ด๐ต๐: ๐๐ฟ๐ฎ๐ฝ๐ต๐ฒ๐ป๐ฒ/๐ก๐ถ(๐ญ๐ญ๐ญ) ๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ
Release 2026.9.24 adds a new example reproducing the structure and energetics of graphene on Ni(111), following the review by Dahal and Batzill (Nanoscale, 2014) and the calculations of Lahiri et al. (New J. Phys., 2011).
Each candidate registry โ fcc, hcp, hollow, and bridge โ is relaxed to obtain the grapheneโmetal separation and the work of adhesion. A fast tier uses the MACE-MP machine-learned force field and runs in minutes; a precise tier submits platform jobs with the LDA functional used in the original publication.
Explore Release 2026.9.24: mat3ra.com/news-and-blog-posโฆ
๐ Try it for free at mat3ra.com/?utm_source=twittโฆ
#Mat3ra #Graphene #2DMaterials #DFT #MachineLearning #MaterialsScience
โ๏ธ Mat3rials 3xplorer.
๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ ๐ฏ๐ฒ๐๐๐ฒ๐ฒ๐ป ๐๐ฎ๐ณ๐ป๐ถ๐๐บ ๐ข๐
๐ถ๐ฑ๐ฒ ๐ฎ๐ป๐ฑ ๐ง๐ถ๐๐ฎ๐ป๐ถ๐๐บ ๐ก๐ถ๐๐ฟ๐ถ๐ฑ๐ฒ (๐๐ณ๐ข๐ฎ(๐ฌ๐ฌ๐ญ)/๐ง๐ถ๐ก(๐ฌ๐ฌ๐ญ)), ๐๐๐ฟ๐ฎ๐ถ๐ป-๐บ๐ฎ๐๐ฐ๐ต๐ถ๐ป๐ด ๐๐๐ฝ๐ฒ๐ฟ๐ฐ๐ฒ๐น๐น.
Available online in our materials bank:
platform.mat3ra.com/bank/matโฆ
#mat3rials3xplorer #materialsscience #mat3ra #Semiconductors #DFT
โกNewsletter 2026/09. Platform Release and News! - mailchi.mp/c90cc19db60f/joinโฆ
๐ ๐ ๐ฎ๐๐ฏ๐ฟ๐ฎ ๐ฃ๐น๐ฎ๐๐ณ๐ผ๐ฟ๐บ ๐ฅ๐ฒ๐น๐ฒ๐ฎ๐๐ฒ ๐ฎ๐ฌ๐ฎ๐ฒ.๐ต.๐ฎ๐ฐ
Our latest platform release introduces new capabilities for computational materials research.
Key additions include:
โช๏ธ Graphene/Ni(111) interface example โ registry-resolved adhesion energetics
โช๏ธ Boron vacancy formation energy tutorial for hexagonal boron nitride
โช๏ธ New REST API endpoints for file uploads and entity set type changes
โช๏ธ CLI default Python version updated to 3.11
The release also includes interface improvements, bug fixes, and updates for developers.
Explore the complete release: mat3ra.com/news-and-blog-posโฆ
๐ Try it for free at mat3ra.com/?utm_source=twittโฆ
#Mat3ra #PlatformRelease #MaterialsScience #ComputationalMaterials #MaterialsInformatics #DFT #ScientificComputing
โกNewsletter 2026/09. Platform Release and News! - mailchi.mp/17e2e0071530/joinโฆ
โ๏ธ Mat3rials 3xplorer.
๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ ๐ฏ๐ฒ๐๐๐ฒ๐ฒ๐ป ๐ง๐ถ๐๐ฎ๐ป๐ถ๐๐บ ๐ก๐ถ๐๐ฟ๐ถ๐ฑ๐ฒ ๐ฎ๐ป๐ฑ ๐ฆ๐ถ๐น๐ถ๐ฐ๐ผ๐ป (๐ง๐ถ๐ก(๐ฌ๐ฌ๐ญ)/๐ฆ๐ถ(๐ฌ๐ฌ๐ญ)), ๐๐๐ฟ๐ฎ๐ถ๐ป-๐บ๐ฎ๐๐ฐ๐ต๐ถ๐ป๐ด ๐๐๐ฝ๐ฒ๐ฟ๐ฐ๐ฒ๐น๐น.
Available online in our materials bank:
platform.mat3ra.com/bank/matโฆ
#mat3rials3xplorer #materialsscience #mat3ra #Semiconductors #2DMaterials #Interfaces
๐ ๐ ๐ฎ๐๐ฒ๐ฟ๐ถ๐ฎ๐น ๐ผ๐ณ ๐๐ต๐ฒ ๐ ๐ผ๐ป๐๐ต: ๐๐ป๐ฆ๐ฒ(๐ฌ๐ฌ๐ญ)/๐๐ด(๐ญ๐ญ๐ญ) ๐๐ป๐๐ฒ๐ฟ๐ณ๐ฎ๐ฐ๐ฒ
This month's featured structure is a strain-matched interface between layered indium selenide (InSe) and silver (Ag), combining the InSe(001) and Ag(111) surfaces in a single supercell.
Semiconductorโmetal interfaces like this one are useful atomistic models for investigating interfacial structure, stability, charge redistribution, and electronic behavior โ and for studying how atomic-scale configurations may influence electronic and optoelectronic device performance.
Explore it in the Mat3ra Materials Bank:
platform.mat3ra.com/bank/matโฆ
#MaterialOfTheMonth #Semiconductors #InSe #Interfaces #MaterialsScience #Mat3ra
๐ ๐ช๐ฒ'๐ฟ๐ฒ ๐๐ถ๐ฟ๐ถ๐ป๐ด ๐ฎ๐ ๐ ๐ฎ๐๐ฏ๐ฟ๐ฎ
Let's make Iron Man's Digital Materials R&D experience a reality together.
โ๏ธ Computational Materials Scientist
apply.workable.com/mat3ra/j/โฆ
Bridge materials/chemistry, data science, and computer science: apply nanoscale modeling across large sets of materials, surfaces, and reaction pathways; organize simulation and experimental data; build AI approaches on top of it.
๐งโ๐คโ๐ง Community Evangelist
apply.workable.com/mat3ra/j/โฆ
For outgoing scientists/engineers who want to grow a vibrant global community: identify pathways for community growth, prepare case studies and technical content, deliver it, and measure KPIs.
All open positions: apply.workable.com/mat3ra/
#Mat3ra #Hiring #JobOpenings #MaterialsScience #ComputationalMaterials #CommunityBuilding












