Mat3ra.com

⚡️ Release 2025.7.24 highlights - Happy Hour at Psi-K in Lausanne. Mat3ra.com is sponsoring Psi-K happy hour at EPFL in Lausanne, Switzerland, on Aug 26, 2025 - join us to find out about the new upcoming updates. Drinks are on us! Learn more at https://lnkd.in/dY5z45w5. #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology

⚡️ Release 2025.7.24 highlights - Iterating on the Materials Categorization. An update to the materials categorization - MCODE - according to the structural compexity, and based on the operations involved during the construction of the structure - e.g. pristine, compound, defective, processed structures with passivation, perturbations, etc. - coming soon. 👉 Try it for free at https://lnkd.in/gNnf9cyx #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology

⚛️ Mat3rials 3xplorer. Silicon with Ge-substitutional, Vacancy and N-interstitial point defects, 3x3x3 supercell. Available online in our materials bank: https://lnkd.in/dK2HbFfE #mat3rials3xplorer #materialsscience #mat3ra

⚡️ Release 2025.7.24 highlights - Free compute tier. [UPCOMING] Free compute capability. We highlight the future upcoming free compute capability - we have been assembling resources to allow our community users to run DFT calculations for free and are planning to release this new feature shortly - stay tuned for the upcoming update(s). 👉 Try it for free at https://lnkd.in/gNnf9cyx #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology

📝 Recent Platform Updates Release 2025.7.24 contains minor improvements, fixes, and announcements. We highlight (1) the future upcoming free compute capability - we have been assembling resources to allow our community users to run DFT calculations for free and are planning to release this new feature shortly - stay tuned for the upcoming update(s); (2) an update to the materials categorization - MCODE - according to the structural compexity, and based on the operations involved during the construction of the structure - e.g. pristine, compound, defective, processed structures with passivation, perturbations, etc. - more coming soon; (3) Mat3ra.com is sponsoring Psi-K happy hour at EPFL in Lausanne, Switzerland, on Aug 26, 2025 - join us to find out about the new upcoming updates. Drinks are on us! Feature: - [Tutorial] Use ASE optimizer to displace film in XY on top of a substrate Improvement: - [MD] Comment out Pyodide in MD Bugfixes: - Improve load times for multiple pages Development: - [MADE/AX] Use Data Models for Slab Configurations and builders - Rewrite adejs to TypeScript - [ESSE/Made] Commensurate Interface - [ESSE/Made] Monolayer - [ESSE/Made] Nanoribbon - [ESSE/Made] Grain Boundary Planar - [ESSE/Made] Grain Boundary Line - [ESSE/Made] Point Defect - [ESSE/Made] Interface between Nanoribbons - [Made\ SlabDefectBuilder - slab with additional layers - [ESSE/Made] Adatom Configuration and Builder - [ESSE/Made] Island Configuration and Builder - [ESSE/Made] Terrace Configuration and Builder - [ESSE/Made] Pair Defect - [ESSE/Made] Nanoparticle - [ESSE/Made] Perturbation builder - [ESSE/Made] Passivation Builder Upcoming (later this year): - (COMING SOON) Free Compute Capability - (COMING SOON) Mat3ra 2D - Surfaces, Interfaces, and Heterostructures 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

⚛️ Mat3rials 3xplorer. Zirconium Oxide Slab (001) with Cylindrical Island 1 layer thick, 4x4 supercell. Available online in our materials bank: https://lnkd.in/dK2HbFfE #mat3rials3xplorer #materialsscience #mat3ra

Research papers we love 🔬 📄 Setting standards for data driven materials science. 👥 Keith T. Butler, Kamal Choudhary, Gabor Csanyi, Alex M. Ganose, Sergei V. Kalinin & Dane Morgan. A young Steve Jobs once called computers ‘bicycles for the mind’—he was referring to the dramatic decrease in the energetic cost of transportation that could be obtained with the bicycle, which breaks all scaling laws for how efficiently an animal can achieve motion. The creativity of new approaches to old materials science problems facilitated by the dramatic uptake of machine learning (ML) is a testament to this notion. The uptake of ML in our subject has been facilitated by exceptional efforts to provide open datasets, e.g. Novel Materials Discovery (NOMAD), Materials Project, Joint Automated Repository for Various Integrated Simulations (JARVIS), Automatic FLOW for Materials Discovery (AFLOW), Open Quantum Materials Database (OQMD) and many others, as well as the extremely high quality of openly available software packages such as scikit-learn, PyTorch, (Just After eXecution) JAX, Quantum Espresso, and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). These resources, along with continued extraordinary developments in hardware, are helping a wide-range of researchers integrate ML into their work. Read more: https://lnkd.in/e4ck9jPS 🤔 What do you think about it? Share with us in the comments 👇 #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology

Material of the Month. Interface between Strontium Titanate (111) and Strontium Iridium Oxide (100) (SrTiO3/SrIrO3(100), strain-matching supercell. Strontium Titanate (SrTiO₃) is a cubic perovskite oxide composed of strontium, titanium, and oxygen. The (111) orientation exposes a polar surface with a triangular symmetry, making it an important substrate for growing oxide thin films with hexagonal or kagome lattice structures. SrTiO₃ (111) is widely used in materials science for exploring interfacial phenomena, especially in heterostructures exhibiting topological phases, spin-orbit coupling effects, and two-dimensional electron gases (2DEGs). Its atomically smooth terraces and well-defined lattice make it a model system for investigating exotic states in correlated oxide systems. Strontium Iridium Oxide (SrIrO₃) is a 5d transition metal oxide with a distorted perovskite structure, known for its strong spin-orbit coupling and semimetallic behavior. The (100) orientation is commonly used for epitaxial thin films to engineer quantum states at oxide interfaces. SrIrO₃ (100) has drawn significant attention in the study of correlated electron systems and topological phases. Its combination of strong spin-orbit interaction and electron correlation makes it a promising platform for realizing novel phenomena such as Dirac semimetals, non-Fermi liquid behavior, and spintronic applications in oxide electronics. Available in the Mat3ra platform in: https://lnkd.in/dEuVmwPY #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology

⚛️ Mat3rials 3xplorer. Silicon Carbide Spherical Nanoparticle with (001) orientation, 693 atoms. Available online in our materials bank: https://lnkd.in/dK2HbFfE #mat3rials3xplorer #materialsscience #mat3ra

🏢 Exabyte Inc., the developers of Mat3ra.com, is excited to announce the opening of its Tokyo office at the Inspired.Lab, a deep-tech focused community centrally located in Otemachi, next to Tokyo Station. As one of the pioneers in materials informatics, Mat3ra.com is well-positioned to contribute its expertise to this innovation community, fostering collaboration and driving breakthroughs in materials research and development for semiconductor, energy, manufacturing, and other critical Japanese industries. Inspired.Lab is a joint initiative by Mitsubishi Real Estate and SAP, a place where cutting-edge technology companies come together to create new businesses that will have a major impact on society. It provides an environment where companies with a deep technology focus can come together and focus on growing their businesses. The Lab brings together people and companies with a passion for innovation, creating a space for the ideation and nurturing of new businesses. 🗣️ “As one of the pioneers in advancing materials science through AI-ready digital approaches, we have been present in Japan for several years and have worked with dozens of enterprise customers through our distributors in the country. Building upon this earlier work, we are excited to open a dedicated office in Tokyo, establishing a direct presence and further enhancing our customer experience and business development efforts,” said Timur Bazhirov, CEO of Exabyte Inc. Exabyte Inc. brings to the Inspired.Lab community its Mat3ra.com platform, which integrates multiscale physics-based and data-driven materials modeling to enable rapid discovery, validation, and optimization of advanced materials. The membership underscores Mat3ra.com’s belief that open innovation is the key to solving humanity’s most complex challenges. By working alongside industry leaders such as ENEOS, Sekisui, Toyota, and others, Mat3ra.com will contribute to an ecosystem where AI-driven digital approaches transform materials science, driving industrial and societal benefits. 📩 Media Contact: Team Mat3raExabyte Inc. / Mat3ra.com press@mat3ra.com #materials #RnD #mat3ra #exabyteio #materialsscience #materialsdesign #materialsmodeling #science #technology