Materials & polymers
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- Flexible force field-based screening and machine learning predictions for CO2 sorption and diffusion in MOFs
- Inverse-Polarity Approach Towards Modular, Red-Shifted, and Soluble Polymethine Fluorophores
- The Illusion of Chemical Continuity Limits Machine Learning Generalization
- Chiral Octahedral Metallomesogens with Δ/Λ Core Chirality: Extending Wallach's Rule from Crystals to Liquid Crystals
- Distribution Function Analysis of Crystalline and Low-Dimensional Materials
- Defect Chemistry and Electronic Structure of α-Pu2O3: A Hybrid DFT Study of Charged Vacancies, Interstitials, and Antisites
- Atom-precise nanocluster architectures programmed by biomolecular assembly
- Generative discovery, symmetry-aware membership screening, and device-level evaluation of six-member-ring MoS2 polytypes
- Accelerating Catalyst Discovery with Artificial Intelligence Using Molecular Dual-Atom Site Catalysts as a Case Study
- PARAMAGNETIC SUPRAMOLECULAR POLYMERS OF METAL-METAL BONDED DIRUTHENIUM COMPLEXES
- Conditional latent distillation enables controllable molecular generation in data-limited soft materials
- The influence of moisture ingression on mechanical and vibrational properties of basalt, glass, and hybrid fiber-epoxy composites
- Understanding engagement with a deposit return scheme for reusable cups: A qualitative study on barriers and enablers of cup use and return through the COM-B Model
- Predicting continuous load-settlement trajectories of bored piles: A GA-optimized weighted ensemble framework with explainable AI
- Translating scientific findings into actions: Modeling the effects of salt application reduction on reservoir water quality using CE-QUAL-W2
- Bio-Inspired Superhydrophilic Urchin-Like Supramolecular Structures Formed by Co-Assembly of Simple Metabolites
- Analysis of lattice changes and weak interactions in a series of solvatomorphic isostructural spin-crossover compounds
- Crystals caught doping: Metallic Wigner crystals in rhombohedral graphene
- The DICTO Ogdoecontahedron on the Gyrated Octet
- The DICTO OG Family on Every Stacking
- Predicting nanoparticle tumor delivery efficiency using explainable machine learning for cancer nanomedicine design
- Chemistry of adaptive polymer-based protective coatings for harsh environments: chemical aging, anticorrosion, antifouling, and self-healing design
- Graphene-Enabled Aerospace Components: Evidence, Anisotropic Transport, and Mission-constrained Engineering
- Causality in liquid water as a hallmark of emergent glassy dynamics
- Screw dislocation–mediated galaxy-mimicking superspiral assembly with amplified bio-piezoelectricity