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RESEARCH PAPER · Nano-Micro Letters · 2025

Artificial Intelligence-Powered Materials Science

Xiaopeng Bai, Xingcai Zhang

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Artificial Intelligence-Powered Materials ScienceOriginalThe Coordination Problem in Multi-Model Materials AI Pipelines0Generative Models for Materials Science — Conceptual Capabilities and Scientific Limits: A Review Study0Multi-Model and Hybrid AI Systems in Materials Research — Architectures and Trade-Offs0Representation Compression and Scientific Loss in Materials AI0Scientific Decision-Making with Materials AI — How Models Actually Influence Action: A Review Study1Temporal Myopia in AI-Accelerated Materials Research0Accelerating materials discovery through active learning: Methods, challenges and opportunities12Benchmarking Without Illusion: A Conceptual Critique of Performance Comparisons in Materials AI0Human-AI synergy in adaptive active learning for continuous lithium carbonate crystallization optimization1Introduction to Advanced Applications of Functionalized Magnetic Nanomaterials (FMNs)1Layer-by-layer assembly: an emerging, tailored and robust platform for solar water splitting10Sustainable carbon materials in environmental and energy applications47Machine Learning-Driven Prediction of Composite Materials Properties Based on Experimental Testing Data56145Chapter 6 Future trends and research challenges in smart alloys2Correction: Artificial Intelligence-Powered Materials Science1A guided review of machine learning in the design and application for pore nanoarchitectonics of carbon materials85Advancements in Battery and Energy Storage Materials0Advances and Prospects of Artificial Intelligence in Materials Science: A Bibliometric Analysis Based on Web of Science Core Database (2005-2024)1Progress and challenges of zinc ion capacitors: From basic principles to performance optimization strategies18Iron-Based High-Temperature Alloys: Alloying Strategies and New Opportunities19Emerging Nonvolatile Memory Technologies in the Future of Microelectronics11In-silico strategies in nano-drug design: Bridging nanomaterials and pharmacological applications46Artificial Intelligence for Materials Discovery, Development, and Optimization171Artificial Intelligence assisted Renewable Energy Case Based Learning Integrated with Science Process Skills and Digital Literacy0Perspectives on the status and future of sustainable CO2 conversion processes and their implementation17All‐Biomass Nanocomposite Films via Facile and Sustainable Design Procedure for Thermal Management and Electromagnetic Interference Shielding61Engineered Hydrogels as Functional Components in Controllable Neuromodulation for Translational Therapeutics4AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects16Machine Learning–Driven Mapping of the Surface Structure and Activity Landscape in Cu–Zn Catalysts for CO2 Electroreduction10Advanced microfluidic techniques for the preparation of solid lipid nanoparticles: Innovations and biomedical applications15Parabiosis, Assembloids, Organoids (PAO)9Artificial intelligence in materials science and chemistry: Past, present and future trajectories9Covalent organic framework-based solid polymer electrolytes for metal-ion batteries: pioneering the future of DFT, MD, and ML techniques4AI-driven design of powder-based nanomaterials for smart textiles: from data intelligence to system integration27Enhancing the sensitivity of radiotherapy in non-small cell lung cancer through nanotechnology-mediated reactive oxygen species generation2Research progress on carbon-based materials for aerospace applications57Recent advances in design of titanium-based lithium ion-sieves for lithium extraction from salt lakes: Synthesis, crystal structures and adsorption mechanisms25Machine learning-based prediction of surface roughness and machinability in heat-treated Ni–Cr–Mo low-alloy steels13D-printed sustainable biocomposites via valorization of biomass: focus on challenges and their future perspectives5Target-oriented design of thin-film nanocomposite (TFN) membranes for reverse osmosis using machine learning and genetic algorithm4Multiscale Construction, Evaluation, and Application of Organoids12Engineering of Stabilized Ru‐Based Proton Exchange Membrane Water Electrolysis26Advancing metal organic framework and covalent organic framework design via the digital-intelligent paradigm18AI-Optimized Nanoelectronics From Design to Fabrication0Conformal sensors enhanced by flexible terahertz microstructures3Data-driven and computational insights into borophene: Integrating machine learning with DFT and AI10Review Article: Transformative Application of AI Potential in Materials Science0Recent advances in graphene-based flexible tactile sensor2AI-driven design of multifunctional nanomaterials in revolutionizing high-temperature, high-power solutions for space technology: potentials, challenges and perspectives6AI-Integrated Micro/Nanorobots for Biomedical Applications: Recent Advances in Design, Fabrication, and Functions27Ultrawide Stopband, Low-Loss, and Miniaturized Low-Pass Filter Using SISL 3-D Inductor and Metasubstrate0Artificial Intelligence in Biomedical 3D Printing: Mapping the Evidence5A Perspective on Balancing the Costs and Performances of Organic Electronics in 21st Century Academic Research4CsPbX3@MOF nanocomposites: design strategies for efficient luminescence sensing and photocatalysis9AI and Machine Learning: Revolutionizing Nanomaterial Research Through Synthesis, Characterization, and Applications0AI for Science: Opportunities, Challenges, and Future Directions4AI-powered medicinal chemistry and translational drug development0AI-powered OLEDs: speeding up innovation in displays3Artificial intelligence-powered nanomedicine29Cognitive AI beyond prediction: toward reasoning and discovery1Colloidal biosystems advances & colloidal biosystem materials science0Swallowable micro-/nanorobots for disease treatment0Organic Phototransistor Photonic Synapses for Artificial Vision13Predicting Activation Energy of Hydrocarbon Dehydrogenation on Au(111) via Machine Learning0Application of artificial intelligence in predicting and optimizing material properties3Revolutionizing endodontics: the impact and innovations of artificial intelligence6Optimization of magnetic nanomaterials for enhanced medical imaging and hyperthermia0Essence of toxicology research to Saudi Arabia Vision 2030 and beyond: Current state and future perspectives1Harnessing nanomaterials for enhanced detection of radioactive metal ions: recent advances and analysis0Magnesium air batteries in terms of machine learning, anode alloying, electrolyte and air-cathode - A review0AI for materials: leading a new era in materials development0Organic frameworks-based optical sensors for uranyl ions: Unveiling mechanisms and applications5AI-driven nanomedicine for cancer theranostics30Intelligent programming training of multi-dimensional functional transformation biomimetic soft robots1Integrated Energy Storage with Smart Sensing for Flexible Electronics4Material Discovery, Renewable Energy, and the Scope of Shallow Learning and Deep Learning1Advances in computer vision for recognizing microstructure images of metallic materials0Machine Learning Toolkits and Frameworks for Materials Design7Intelligent self-healing hydrogels: AI-Empowered design, biomedical innovation, and future horizons3Prediction of Stress-strain Behavior for Polyurethane Elastomers Based on Machine Learning0Data-driven design of pseudohalide perovskites for optoelectronic applications0Toward high magnetothermal and photothermal conversion: Deep learning-guided rational design of wood-based phase change composites0Advanced materials for non-alcoholic fatty liver disease and cardiovascular disease comorbidity therapeutics4Optimization of surface plasmon resonance in green-synthesized silver nanoparticles using response surface methodology: characterization and antibacterial assessment0Predictive Mapping of Materials in the Triboelectric Series Using Graph Neural Networks0Artificial intelligence-driven paradigms for layered cathode materials: A systematic framework for multi-scale engineering2Temperature-Dependent Bioaccumulation of Metals in Marine Mollusks: Integrating Thermal Performance Curves, Machine Learning, and Toxicokinetic Modeling1Artificial Intelligence-Driven Wearable Sensors for Cardiovascular Health Monitoring6Artificial intelligence-driven methodology for predicting brazed ceramic–metal composite materials0Accelerating Computational Material Discovery and Learning: First Experiences with MatterSim0A machine learning pipeline for predicting Curie temperature of magnetic topological materials1Low‐Dimensional Materials and Van Der Waals Heterostructures for Energy Application: A Comprehensive Review3Biomimetic Multi-Responsive Superwettable Materials for Oil–Water Separation9Sprayable bioadhesive microcarriers loaded with Tβ4-Engineered ADSC exosomes for diabetic wound healing02D Materials Powering Neuromorphic Intelligence1Artificial Intelligence for Sustainable Ceramic and Refractory Materials: A PRISMA-Guided Systematic Review of Emerging Design Strategies, Industrial Applications, and Circular Raw Material Utilization0Multiphysics in acoustofluidics for materials science and biochemistry0Photocatalytic water splitting: from fundamental mechanisms to practical challenges1AI-Powered Biomaterial Design for Tissue Engineering2A physics-informed adaptive radial basis neural network (PIARNN) for fractured horizontal well simulation0A Machine-Learning-Accelerated Approach for Room-Temperature Phase Diagram Predictions0Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization0MOF‐Derived Semiconductor Materials for Wastewater‐Driven Energy Production and Environmental Remediation0Synthesis-structure-performance relationships in hydrothermally derived α-Fe2O3 photoanodes for photoelectrochemical water splitting: A critical review0Artificial intelligence-assisted design and optimization of radiation shielding materials for medical applications0Hybrid photocatalysis with halide perovskite materials0Hybrid Artificial Neural Network Long Short-Term Memory Framework for Predicting the Mechanical Behavior of Composite Materials0Analysis and Applications of Neuromorphic Memristors in Artificial Intelligence Computing0Data driven approach for topological data of polyelectrolytes assembly0Integrating Mathematics, Artificial Intelligence, and Chemistry for Digital Materials Discovery0High-efficiency photosynaptic transistors enabled by oriented 2D azobenzene COF films for precision associative learning0Dynamic evaluation of uncertainty quantification under distribution shift in materials property prediction0Intellectual Property in the Age of Generative Materials Design: Ownership of AI-Discovered Compounds0A Review on Chalcogenide-Polymer based Flexible Thermoelectrics for Power Generation0Machine learning-driven high-throughput prediction of Hg0 capture in MOFs and decipherment of structure-property relationships0

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