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Mat3ra

Mat3ra

@Mat3ra_com

The AI-ready collaborative platform driving the #DigitalTransformation of #materials and #chemicals R&D through #modeling and #machinelearning.

San Francisco, CA Katılım Kasım 2018
478 Takip Edilen3.2K Takipçiler
Mat3ra
Mat3ra@Mat3ra_com·
📚 𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵 𝗣𝗮𝗽𝗲𝗿𝘀 𝘄𝗲 𝗹𝗼𝘃𝗲 𝗧𝗼𝘄𝗮𝗿𝗱𝘀 𝘁𝗵𝗲 𝗱𝗶𝘀𝗰𝗼𝘃𝗲𝗿𝘆 𝗼𝗳 𝗵𝗶𝗴𝗵 𝗰𝗿𝗶𝘁𝗶𝗰𝗮𝗹 𝗺𝗮𝗴𝗻𝗲𝘁𝗶𝗰 𝗳𝗶𝗲𝗹𝗱 𝘀𝘂𝗽𝗲𝗿𝗰𝗼𝗻𝗱𝘂𝗰𝘁𝗼𝗿𝘀 This paper proposes a new route for superconductor discovery by focusing not only on critical temperature, but also on the often-overlooked role of the critical magnetic field. The authors present a computational database covering more than 7,300 electron-phonon superconductors and combine DFT-derived electronic structure with Eliashberg theory to predict key superconducting properties. The work points toward a more realistic framework for AI-driven inverse design of superconductors with both high (T_c) and high critical fields. 🔗 Source: arxiv.org/abs/2601.21044 📄 PDF: arxiv.org/pdf/2601.21044 𝗟𝗮𝗿𝗴𝗲-𝗦𝗰𝗮𝗹𝗲 𝗜𝗻𝘁𝗲𝗴𝗿𝗮𝘁𝗶𝗼𝗻 𝗼𝗳 𝗘𝘅𝗽𝗲𝗿𝗶𝗺𝗲𝗻𝘁𝗮𝗹 𝗮𝗻𝗱 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗗𝗮𝘁𝗮 𝗳𝗼𝗿 𝟮𝗗 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 This paper introduces X2DB, an open infrastructure designed to connect fragmented experimental and computational knowledge on 2D materials. The authors identify 370 experimentally realized 2D materials and link them to computational counterparts, enabling more consistent analysis across monolayer, bilayer, and bulk forms. For the materials community, the work is especially interesting as a foundation for data-driven, predictive synthesis and tighter integration between experimental results and ab initio modeling. 🔗 Source: pubs.acs.org/doi/10.1021/ac… 📄 Preprint/PDF: arxiv.org/pdf/2603.05083 #ResearchPapers #MaterialsScience #ComputationalMaterials #Superconductors #2DMaterials #AIforScience #DFT #Materials
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📰 𝗜𝗻𝗱𝘂𝘀𝘁𝗿𝘆 𝗡𝗲𝘄𝘀 𝗡𝗩𝗜𝗗𝗜𝗔 𝗮𝗻𝗱 𝗚𝗼𝗼𝗴𝗹𝗲 𝗖𝗹𝗼𝘂𝗱 𝘁𝗮𝗿𝗴𝗲𝘁 𝗽𝗵𝘆𝘀𝗶𝗰𝗮𝗹 𝗔𝗜 𝗳𝗮𝗰𝘁𝗼𝗿𝗶𝗲𝘀 NVIDIA and Google Cloud have expanded their partnership around what they call “physical AI factories,” combining new GPU infrastructure, confidential computing, and updated enterprise AI tooling. For the engineering community, this is more than another cloud announcement: it reflects how AI infrastructure is evolving for industrial, simulation-heavy, and performance-critical workloads. The news also points to a broader shift toward secure, deployable, and scalable AI environments for next-generation systems. 🔗 Source: eenewseurope.com/en/News/?utm_s… 𝗜𝗤𝗠 𝗿𝗮𝗶𝘀𝗲𝘀 €𝟱𝟬𝗠 𝘁𝗼 𝗯𝗼𝗼𝘀𝘁 𝗾𝘂𝗮𝗻𝘁𝘂𝗺 𝗰𝗼𝗺𝗽𝘂𝘁𝗶𝗻𝗴 𝗿𝗼𝗮𝗱𝗺𝗮𝗽 Finnish quantum computing company IQM has secured a €50 million financing package from funds and accounts managed by BlackRock to accelerate R&D, support global expansion, and advance its quantum technology roadmap. The funding is expected to help strengthen IQM’s superconducting quantum systems and scale development further. For the European deep-tech ecosystem, this is an important signal of growing investor confidence in quantum hardware and long-term quantum infrastructure. 🔗 Source: eenewseurope.com/en/iqm-raises-… #IndustryNews #Electronics #EdgeAI #QuantumComputing #Semiconductors #DeepTech #Engineering #AIInfrastructure
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⚡️ 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=tw… #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
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📍 𝗔.𝗜. 𝟮 𝗦𝗰𝗶𝗲𝗻𝗰𝗲 𝗛𝗮𝗽𝗽𝘆 𝗛𝗼𝘂𝗿 𝗶𝗻 𝗟𝗮𝗳𝗮𝘆𝗲𝘁𝘁𝗲 𝗼𝗻 𝗠𝗮𝘆 𝟯 On May 3, we hosted A.I. 2 Science Happy Hour in Lafayette, California — a casual gathering for people interested in the intersection of AI and science. It was a great evening of conversations, new connections, and shared ideas across research, engineering, and innovation. 📅 Couldn’t join? Here’s your chance: Join us at our next event — 🧪 A.I. 2 Science Happy Hour 📍 June 7 | Lafayette, CA 🔗 mat3ra.com/events-posts/a… #AI #AIforScience #MaterialsScience #ScientificCommunity #Networking #Innovation #Mat3ra
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Mat3ra@Mat3ra_com·
⚡️ 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟯.𝟮𝟲 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 - 𝗣𝘂𝗯𝗹𝗶𝗰 𝗛𝗣𝗖 𝗰𝗼𝗻𝘁𝗮𝗶𝗻𝗲𝗿 𝗿𝗲𝗴𝗶𝘀𝘁𝗿𝘆 New registry ready to receive pull requests from new additions at github.com/Exabyte-io/app… 👉 Try it for free at mat3ra.com/?utm_source=tw… #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
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📅 𝗨𝗽𝗰𝗼𝗺𝗶𝗻𝗴 𝗘𝘃𝗲𝗻𝘁𝘀 May brings two opportunities to connect with the Mat3ra community — one in Tokyo and one online. 𝗠𝗮𝘆 𝟭𝟯 — 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗗𝗲𝘃𝗲𝗹𝗼𝗽𝗺𝗲𝗻𝘁 𝗖𝗮𝗳𝗲 #𝟭𝟭 | 𝗧𝗼𝗸𝘆𝗼, 𝗝𝗮𝗽𝗮𝗻 Join us for a free hybrid workshop focused on computational materials R&D, including HPC workflows, data management, and automation on the Mat3ra platform. Available in English and Japanese. 🔗 mat3ra.com/events-posts/m… 𝗠𝗮𝘆 𝟮𝟳 — 𝗠𝗮𝘁𝟯𝗿𝗮 𝟮𝗗, 𝗦𝗲𝗮𝘀𝗼𝗻 𝟮, 𝗘𝗽𝗶𝘀𝗼𝗱𝗲 𝟮 | 𝗪𝗲𝗯𝗶𝗻𝗮𝗿 Learn how to run structural relaxation calculations with Quantum ESPRESSO from JupyterLab notebooks on Mat3ra, including fixed-cell and variable-cell workflows for 2D interfaces. 🔗 mat3ra.com/events-posts/m… 📝 us02web.zoom.us/webinar/regist… Join us in Tokyo or online. #Mat3ra #MaterialsScience #ComputationalMaterials #ScientificComputing #HPC #CloudComputing #DFT #2DMaterials
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🛠️ 𝗥𝗲𝗰𝗲𝗻𝘁 𝗣𝗹𝗮𝘁𝗳𝗼𝗿𝗺 𝗨𝗽𝗱𝗮𝘁𝗲𝘀 𝗥𝗲𝗹𝗲𝗮𝘀𝗲 𝟮𝟬𝟮𝟲.𝟰.𝟮𝟯 introduces several 𝗱𝗲𝘃𝗲𝗹𝗼𝗽𝗲𝗿-𝗼𝗿𝗶𝗲𝗻𝘁𝗲𝗱 𝘂𝗽𝗱𝗮𝘁𝗲𝘀 and new features. 𝗞𝗲𝘆 𝗵𝗶𝗴𝗵𝗹𝗶𝗴𝗵𝘁𝘀 • 𝗡𝗲𝘄 𝗚𝗖𝗣 𝗶𝗻𝘀𝘁𝗮𝗻𝗰𝗲 𝘁𝘆𝗽𝗲𝘀 RDMA-capable 𝗛𝟰𝗗 instance types are now available for Google Cloud Platform through the 𝗢𝗙𝗽𝗹𝘂𝘀 queue. • 𝗢𝗽𝗲𝗻-𝘀𝗼𝘂𝗿𝗰𝗲 𝗔𝗽𝗽𝘁𝗮𝗶𝗻𝗲𝗿 𝗰𝗼𝗻𝘁𝗮𝗶𝗻𝗲𝗿 𝗿𝗲𝗴𝗶𝘀𝘁𝗿𝘆 The public registry is now available here: github.com/Exabyte-io/app… This opens the door for community contributions to newer versions of simulation engines. • 𝗔𝗣𝗜 𝗲𝘅𝗮𝗺𝗽𝗹𝗲𝘀 𝗮𝗻𝗱 𝗝𝘂𝗽𝘆𝘁𝗲𝗿 𝗻𝗼𝘁𝗲𝗯𝗼𝗼𝗸 𝘂𝗽𝗱𝗮𝘁𝗲𝘀 Multiple updates were added to the API-examples repository, including adjustments to 𝗩𝗮𝗹𝗲𝗻𝗰𝗲 𝗕𝗮𝗻𝗱 𝗢𝗳𝗳𝘀𝗲𝘁 calculations to include polar slabs. 𝗙𝗲𝗮𝘁𝘂𝗿𝗲𝘀 • GCP — 𝗛𝟰𝗗, 𝗖𝟮-𝟲𝟬 instances • Public application container registry • Standata: add frequency flavor for 𝗡𝗪𝗖𝗵𝗲𝗺 • Standata: adjust 𝗩𝗕𝗢 workflow to include slope of potential 𝗜𝗺𝗽𝗿𝗼𝘃𝗲𝗺𝗲𝗻𝘁𝘀 • API-Examples: adjust slab creation notebook to create multiple slabs 𝗙𝗶𝘅𝗲𝘀 • Fix the method for Python being set to “unknown” • Fix modulefile defaults for compute nodes 𝗙𝗼𝗿 𝗱𝗲𝘃𝗲𝗹𝗼𝗽𝗲𝗿𝘀 • Mat3ra-2D manuscript: arxiv.org/abs/2603.27886 • Create a generic application interface in runtime Python • Add 𝗗𝗲𝗲𝗽𝗠𝗗 containerized application • AX: convergence of any parameter • AX: add VBO notebook More on the highlights in the next additional posts on this topic! 🔜 Share with us, how do you like these changes? 👇 #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology
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⚛️ Mat3rials 3xplorer. 𝗜𝗻𝘁𝗲𝗿𝗳𝗮𝗰𝗲 𝗯𝗲𝘁𝘄𝗲𝗲𝗻 𝗧𝘂𝗻𝗴𝘀𝘁𝗲𝗻 𝗗𝗶𝘀𝘂𝗹𝗳𝗶𝗱𝗲 𝗮𝗻𝗱 𝗔𝗹𝘂𝗺𝗶𝗻𝘂𝗺 𝗢𝘅𝗶𝗱𝗲 (𝗪𝗦𝟮(𝟬𝟬𝟭)/𝗔𝗹𝟮𝗢𝟯(𝟬𝟬𝟭)), 𝘀𝘁𝗿𝗮𝗶𝗻-𝗺𝗮𝘁𝗰𝗵𝗶𝗻𝗴 𝘀𝘂𝗽𝗲𝗿𝗰𝗲𝗹𝗹. Available online in our materials bank: platform.mat3ra.com/bank/materials… #mat3rials3xplorer #materialsscience #mat3ra Показать перевод
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📚 𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵 𝗣𝗮𝗽𝗲𝗿𝘀 𝘄𝗲 𝗹𝗼𝘃𝗲 Two papers we found especially interesting this week: 🧪 𝗚𝗲𝗻𝗲𝗿𝗮𝘁𝗶𝘃𝗲 𝗮𝗿𝘁𝗶𝗳𝗶𝗰𝗶𝗮𝗹 𝗶𝗻𝘁𝗲𝗹𝗹𝗶𝗴𝗲𝗻𝗰𝗲 𝗳𝗼𝗿 𝗰𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗰𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆 This paper looks at how generative AI is advancing molecular sampling, force field development, and simulation speed in computational chemistry. Its key point is important: scientific AI should not only fit known patterns, but also help predict emergent chemical phenomena. The authors also argue that future models may need deeper integration with statistical mechanics. 🔗 Source: arxiv.org/pdf/2409.03118 🔬 𝗙𝗼𝘂𝗻𝗱𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗟𝗮𝗿𝗴𝗲 𝗟𝗮𝗻𝗴𝘂𝗮𝗴𝗲 𝗠𝗼𝗱𝗲𝗹𝘀 𝗳𝗼𝗿 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵 This paper introduces LLaMat, a family of domain-adapted foundation models for materials science. The results show strong performance in materials-specific NLP, structured information extraction, and crystal structure generation. One of the most useful takeaways: domain adaptation still matters. Bigger general-purpose models are not automatically better for scientific work. 🔗 Source: arxiv.org/abs/2412.09560 Taken together, these papers point to a broader shift: scientific AI is becoming more predictive, domain-aware, and practically useful for chemistry and materials research. #ResearchPapers #AIforScience #MaterialsScience #ComputationalChemistry #ComputationalMaterials #GenerativeAI #LLM #MaterialsInformatics
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💎 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹 𝗼𝗳 𝘁𝗵𝗲 𝗠𝗼𝗻𝘁𝗵 ▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁▁ 𝗣𝗿𝗮𝘀𝗲𝗼𝗱𝘆𝗺𝗶𝘂𝗺 (𝗜𝗜𝗜)-𝗱𝗼𝗽𝗲𝗱 𝗖𝗲𝘀𝗶𝘂𝗺 𝗦𝘁𝗿𝗼𝗻𝘁𝗶𝘂𝗺 𝗙𝗹𝘂𝗼𝗿𝗶𝗱𝗲 (𝗖𝘀𝗦𝗿𝗙𝟯:𝗣𝗿_𝗦𝗿), 𝟮𝘅𝟮𝘅𝟮 𝘂𝗻𝗶𝘁 𝗰𝗲𝗹𝗹. Praseodymium (III)-doped Cesium Strontium Fluoride (CsSrF3:Pr_Sr) is an inorganic crystalline compound composed of cesium, strontium, and fluorine, with praseodymium (III) ions incorporated as dopants. Its chemical formula is CsSrF3:Pr. The compound crystallizes in a perovskite-type structure and is typically represented in a 2×2×2 unit cell for computational or modeling purposes. Doping with Pr3+ introduces localized electronic states that can modify its optical and luminescent properties. CsSrF3:Pr_Sr exhibits strong luminescence under ultraviolet or electron excitation, making it of interest for applications in phosphors, scintillators, and optical materials. The host lattice is chemically stable and resistant to moisture, while the praseodymium ions contribute characteristic emission lines in the visible spectrum. Its optical properties can be tuned by adjusting the dopant concentration and synthesis conditions. The material is studied for both fundamental solid-state physics and practical applications in lighting and radiation detection technologies. Its combination of a stable fluoride lattice and lanthanide doping makes CsSrF3:Pr_Sr a versatile candidate in optoelectronic research and advanced materials development. Available in the mat3ra platform in: platform-new.mat3ra.com/bank/materials… #MaterialOfTheMonth #MaterialsScience #SolidStatePhysics #Crystallography #Perovskite #LanthanideDoping #Luminescence #Photoluminescence #ScintillatorMaterials #OpticalMaterials #ComputationalMaterials #MaterialsModeling
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⚛️ Mat3rials 3xplorer. 𝗜𝗻𝘁𝗲𝗿𝗳𝗮𝗰𝗲 𝗯𝗲𝘁𝘄𝗲𝗲𝗻 𝗩𝗮𝗻𝗮𝗱𝗶𝘂𝗺 𝗦𝗲𝗹𝗲𝗻𝗶𝗱𝗲 𝗮𝗻𝗱 𝗔𝗹𝘂𝗺𝗶𝗻𝘂𝗺 𝗢𝘅𝗶𝗱𝗲 (𝗩𝗦𝗲𝟮(𝟬𝟬𝟭)/𝗔𝗹𝟮𝗢𝟯(𝟭𝟭𝟭)), 𝘀𝘁𝗿𝗮𝗶𝗻-𝗺𝗮𝘁𝗰𝗵𝗶𝗻𝗴 𝘀𝘂𝗽𝗲𝗿𝗰𝗲𝗹𝗹. Available online in our materials bank: platform.mat3ra.com/bank/materials #mat3rials3xplorer #materialsscience #mat3ra
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📣 𝗨𝗽𝗰𝗼𝗺𝗶𝗻𝗴: 𝗠𝗮𝘁𝟯𝗿𝗮 𝟮𝗗, 𝗦𝗲𝗮𝘀𝗼𝗻 𝟮, 𝗘𝗽𝗶𝘀𝗼𝗱𝗲 𝟭 Join us on April 29 for our upcoming webinar on running Quantum ESPRESSO calculations from JupyterLab notebooks using the Mat3ra platform. The session will cover total energy calculations, wavefunction plotting along the z direction, and k-point convergence for a reliable calculation setup. Learn more: mat3ra.com/events-posts/m… Register here: us02web.zoom.us/webinar/regist… #Mat3ra #MaterialsScience #QuantumESPRESSO #Webinar
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Mat3ra
Mat3ra@Mat3ra_com·
🚀 𝗝𝗼𝗯 𝗣𝗼𝘀𝘁𝗶𝗻𝗴𝘀: 𝗕𝘂𝗶𝗹𝗱 𝘁𝗵𝗲 𝗳𝘂𝘁𝘂𝗿𝗲 𝗼𝗳 𝗱𝗶𝗴𝗶𝘁𝗮𝗹 𝗺𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗥&𝗗 We’re growing at Mat3ra and looking for people who want to shape the future of digital materials R&D. Open positions: 𝗺𝗮𝘁𝟯𝗿𝗮.𝘄𝗼𝗿𝗸𝗮𝗯𝗹𝗲.𝗰𝗼𝗺 ☀️ 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗦𝗰𝗶𝗲𝗻𝘁𝗶𝘀𝘁 We’re looking for computational materials scientists excited about connecting 𝗺𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀/𝗰𝗵𝗲𝗺𝗶𝘀𝘁𝗿𝘆, 𝗱𝗮𝘁𝗮 𝘀𝗰𝗶𝗲𝗻𝗰𝗲, and 𝗰𝗼𝗺𝗽𝘂𝘁𝗲𝗿 𝘀𝗰𝗶𝗲𝗻𝗰𝗲. This role focuses on: • applying nanoscale modeling to large sets of materials, surfaces, and reaction pathways with minimal human input • organizing data from simulations and experimental validation • building AI-driven approaches based on those datasets 🧑‍🤝‍🧑 𝗖𝗼𝗺𝗺𝘂𝗻𝗶𝘁𝘆 𝗘𝘃𝗮𝗻𝗴𝗲𝗹𝗶𝘀𝘁 We’re looking for outgoing people with strong technical backgrounds — scientists or engineers ready to expand their skills and grow a vibrant global community around advanced materials and chemicals software. This role focuses on: • identifying strategic pathways for community growth • preparing content, case studies, and technical presentations • delivering content and measuring KPI Let’s make 𝗜𝗿𝗼𝗻 𝗠𝗮𝗻’𝘀 𝗗𝗶𝗴𝗶𝘁𝗮𝗹 𝗠𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗥&𝗗 experience a reality together. 🔗 Apply here: 𝗵𝘁𝘁𝗽𝘀://𝗺𝗮𝘁𝟯𝗿𝗮.𝘄𝗼𝗿𝗸𝗮𝗯𝗹𝗲.𝗰𝗼𝗺/ #Mat3ra #JobOpening #Hiring #MaterialsScience #ComputationalMaterials #DataScience #AIforScience #CommunityBuilding
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