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Fantastic work! 🎉 After identifying key #interactions, #CrystalStructures with known #elastic deformation trends can be extrapolated to pinpoint restoring force locations. 🏗️🔬nature.com/articles/s4156… Nature Materials Jack Clegg #crystallography #education

Machine learning-assisted design of metal–organic frameworks for hydrogen storage: A high-throughput screening and experimental approach sciencedirect.com/science/articl…

Engineering Photoswitching Dynamics in 3D Photochromic Metal–Organic Frameworks through a Metal–Organic Polyhedron Design dx.doi.org/10.1021/jacs.4…

Data-Driven Search Algorithm for Discovery of Synthesizable Zeolitic Imidazolate Frameworks dx.doi.org/10.1021/jacsau…

Gram-Scale Synthesis of Imine-Linked Covalent Organic Frameworks at Ambient Conditions Using Metal Triflimides dx.doi.org/10.1021/acs.ch…

Two-Dimensional Heteropore Covalent Organic Frameworks: From Construction to Functions dx.doi.org/10.1021/acs.ac…

3D interpenetrated covalent organic frameworks sciencedirect.com/science/articl…

Reticular Design and Synthesis of Covalent Organic Frameworks with Irregular Hexagonal Tiling dx.doi.org/10.1021/jacs.5…

Leveraging Prompt Engineering in Large Language Models for Accelerating Chemical Research #machinelearning #compchem pubs.acs.org/doi/abs/10.102…

Can Large Language Models Predict the Hydrophobicity of Metal−Organic Frameworks? pubs.rsc.org/en/Content/Art…

🦨"Why an over-reliance on AI-driven modeling is bad for science" there's a rush to adopt AI (wonder what "AI's rise in research" looks like for chemistry & chemical engineering 👀). - easy for researchers to overestimate the predictive capabilities of an AI model, creating the

Discovery of Crystalline Inorganic Solids in the Digital Age #machinelearning #compchem pubs.acs.org/doi/abs/10.102…

Discovering Ultra-Stable Metal–Organic Frameworks for CO2 Capture from A Wet Flue Gas: Integrating Machine Learning and Molecular Simulation dx.doi.org/10.1021/acs.es…

🐚ACC isn't just amorphous CaCO₃🫟!? Its missing CO₃²⁻—replaced by Cl⁻ & NO₃⁻🧪. And only cleans up its composition as it crystallizes✨ Read more in J. Am. Chem. Soc. with imaging📽️ & Xrays🔦🩻 StonyBrookChem and NMR🧲Iowa State Department of Chemistry @efrcgenesis pubs.acs.org/doi/10.1021/ja…

Refining a Generic Force Field for Predicting Phase Transitions in Wine-Rack Metal–Organic Frameworks dx.doi.org/10.1021/acs.jc…

An Ethynyl-Linked sp-Carbon-Conjugated Covalent Organic Framework through Sonogashira Cross-Coupling Reactions dx.doi.org/10.1021/jacs.5…

Flexible Metal–Organic Frameworks for Adsorptive Separation of Liquid Hydrocarbons dx.doi.org/10.1021/acs.ac…

Pore Engineering in Metal–organic Frameworks and Covalent Organic Frameworks: Strategies and Applications pubs.rsc.org/en/Content/Art…

Artificial Intelligence Paradigms for Next-Generation Metal–Organic Framework Research dx.doi.org/10.1021/jacs.5…

🤖 MOFs meet #MachineLearning! MOFClassifier is a graph-based #AI tool that checks if MOF structures are computation-ready. 📈 With a stellar ROC of 0.979, it reduces false negatives & helps identify better #MOFs for real-world uses like #CarbonCapture. 🔗 hubs.li/Q03vBbK20