Royal Society– tag –
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Royal Society of Chemistry Review: AI Accelerates Nanomaterial Design, Synthesis, and Characterization, Boosting Synthesis Efficiency with Closed-Loop Experimentation
The Royal Society of Chemistry UK Overview A Royal Society of Chemistry review highlights how AI integration is revolutionizing nanomaterial science, accelerating discovery, design, synthesis, and characterization. Machine learning, deep... -
Machine Learning Accelerates Discovery of Phase-Stable Formamidinium-Based Perovskites with Automated Synthesis Platform
Energy & Environmental Science, The Royal Society of Chemistry UK Overview This study demonstrated that machine learning (ML) prediction can accelerate the discovery of phase-stable formamidinium-based perovskites. By leveraging datasets... -
Novel MLIP Developed for Titanium Carbide MXenes: Applied to Ion Irradiation Simulations, Offering New Defect Engineering Guidance
The Royal Society of Chemistry UK Overview A machine-learned interatomic potential (MLIP) has been developed for titanium carbide MXenes, demonstrating successful application in ion irradiation simulations. Trained with density functiona... -
Royal Society of Chemistry Unveils Open-Source Software Platform for Automating Massively Parallel Battery Cycling Experiments
The Royal Society of Chemistry UK Overview The Royal Society of Chemistry has announced a scalable open-source software platform for managing and automating massively parallel battery cycling experiments. This platform accelerates new ma... -
Royal Society of Chemistry Reviews Data-Driven Interfacial Regulations via Molecular Additive Screening for Batteries and Electrocatalysis
The Royal Society of Chemistry UK Overview A review from The Royal Society of Chemistry highlights data-driven interfacial regulations through molecular additive screening for batteries and electrocatalysis. It identifies descriptor tran... -
Royal Society of Chemistry Advances Closed-Loop Recycling of Polymer Networks via Dynamic Covalent Chemistry
Royal Society of Chemistry UK Overview The Royal Society of Chemistry highlights dynamic covalent chemistry as a promising route for closed-loop recycling of polymer networks, enabling the regeneration of high-quality polymers from spent... -
Royal Society of Chemistry Integrates MLIPs and Classical Force Fields for MOF Adsorption Screening, Achieving DFT Accuracy at Low Cost
The Royal Society of Chemistry (Chemical Science) International Overview An efficient hybrid screening workflow integrating classical force fields with universal machine learning interatomic potentials (u-MLIPs) has been introduced for m... -
AI Model Accurately Locates Missing Hydrogen Atoms in Crystal Structures, Enhancing Materials Simulation Precision
Chemistry World (Royal Society of Chemistry) UK Overview Researchers have developed an AI model that accurately places missing hydrogen atoms within inorganic crystal structures, a long-standing challenge for traditional X-ray diffractio...
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