Materials Informatics– category –
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Materials Informatics
PHICS: Physics-constrained ML for composite inverse design specs
Science China Press (Research Highlight/Press Release) China Overview The Physics-constrained inverse design system (PHICS) has been developed for the efficient inverse design of multifunctional composite materials. PHICS integrates phys... -
Materials Informatics
ML Interatomic Potentials: Quantum computing data bridge explained
Cool Papers (Preprint/Research Highlight) Unknown Overview This research proposes a framework to enhance the accuracy of universal machine-learning interatomic potentials (uMLIPs) by leveraging sparse, high-fidelity data from quantum com... -
Materials Informatics
NVIDIA ALCHEMI: ENEOS catalyst discovery specs and 100M tests
Markets Insider (Matlantis and ENEOS Holdings Corporation joint announcement) Japan Overview Matlantis announced that ENEOS Holdings has dramatically accelerated its oxygen evolution reaction (OER) catalyst discovery process from years t... -
Materials Informatics
Tianjin University: AI-driven γ-Al2O3 catalyst design explained
EurekAlert! (Tianjin University research) China Overview Researchers at Tianjin University identified two novel, more stable defect-rich low-energy structures of γ-Al₂O₃ (γ-NAV and γ-AV) using a neural network-guided global optimization ... -
Materials Informatics
Materials Informatics Weekly Report September 20, 2026
▼ ▼ ▼ If the infographic makes you want to read the full report, please click the download button below. ▼ ▼ ▼ 📄 Weekly Report September 20, 2026 (PDF) — Download Weekly Report September 20, 2026 (PDF) — DownloadDownload 🎙 Podcast Septe... -
Materials Informatics
AI Unravels Interphase Design Mechanisms to Boost Lithium-ion Battery Performance in LLNL Study
Mirage News USA Overview A Lawrence Livermore National Laboratory (LLNL) study has leveraged AI to elucidate the design mechanisms of the ultrathin interphase layer critical for lithium-ion battery performance and durability. By training... -
Materials Informatics
North Carolina State University Team Automates Catalyst Discovery with Chemspeed Autonomous Lab, Significantly Enhancing Propylene Hydroformylation Performance
Chemspeed Switzerland Overview A research team from North Carolina State University, UNC Chapel Hill, and Eastman Chemical Company has developed a closed-loop autonomous platform based on Chemspeed automation systems and software, fully ... -
Materials Informatics
Physics-Informed Graph Neural Network Unlocks Heterogeneous Solid Mechanics: Modeling Deformation and Crack Propagation Without Extensive Data
arXiv Unknown Overview A novel Physics-Informed Graph Neural Network (PI-GNN) has been developed, successfully modeling deformation and crack propagation in heterogeneous solid mechanics with high accuracy. Operating on conforming mesh g... -
Materials Informatics
Multimodal LLM Agent ‘SynAgent’ Achieves Autonomous Synthesis of Highly Crystalline LiCoO2 Thin Films and Elucidates Substrate Temperature Control in Just 18 Experiments
arXiv USA Overview The 'SynAgent' framework, utilizing multimodal LLM agents, successfully achieved autonomous synthesis of highly crystalline LiCoO2 (001) thin films and elucidated the role of substrate temperature in crystallization wi... -
Materials Informatics
IBM Research Accelerates Battery Materials Discovery with AI and Quantum Computing for Stronger, More Sustainable Cells
IBM Research USA Overview IBM Research is dramatically accelerating the pace of scientific discovery, including battery materials, by integrating AI, quantum computing, and hybrid cloud expertise. This 'Accelerated Discovery' approach co...