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RESEARCH PAPER · Journal of Materiomics · 2017

Materials discovery and design using machine learning

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Materials discovery and design using machine learningOriginalPredictive and generative machine learning models for photonic crystals101Interface Characterization and Control of 2D Materials and Heterostructures212Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes279Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies134Predicting the effective thermal conductivities of composite materials and porous media by machine learning methods332Combining electronic and structural features in machine learning models to predict organic solar cells properties177Rationalizing Perovskite Data for Machine Learning and Materials Design101Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures102Machine learning in materials design and discovery: Examples from the present and suggestions for the future198Recent Advances in Metallic Glass Nanostructures: Synthesis Strategies and Electrocatalytic Applications84Band gap and band alignment prediction of nitride-based semiconductors using machine learning85Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases104First-principles study of alkali-metal intercalation in disordered carbon anode materials105Machine learning for renewable energy materials312Nanoinformatics, and the big challenges for the science of small things92Rationalizing the interphase stability of Li|doped-Li 7 La 3 Zr 2 O 12 via automated reaction screening and machine learning97Machine Learning for Understanding Compatibility of Organic–Inorganic Hybrid Perovskites with Post-Treatment Amines112Materials informatics: From the atomic-level to the continuum191From DFT to machine learning: recent approaches to materials science–a review849Nanomaterials Discovery and Design through Machine Learning113Machine learning based prediction of metal hydrides for hydrogen storage, part I: Prediction of hydrogen weight percent135Machine learning for composite materials311Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists208Recent advances and applications of machine learning in solid-state materials science2607Prediction of Compressive Strength of Concrete: Critical Comparison of Performance of a Hybrid Machine Learning Model with Standalone Models179Physical metallurgy-guided machine learning and artificial intelligent design of ultrahigh-strength stainless steel493Data‐Driven Materials Science: Status, Challenges, and Perspectives700Recent Advances in Graphene-like 2D Materials for Spintronics Applications207Generative Counterfactual Introspection for Explainable Deep Learning83Machine Learning for Accelerated Discovery of Solar Photocatalysts179The chemical physics of sequential infiltration synthesis—A thermodynamic and kinetic perspective124Machine learning on density and elastic property of oxide glasses driven by large dataset96Machine Learning and Big Data Provide Crucial Insight for Future Biomaterials Discovery and Research104Machine learning-driven new material discovery296Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures205Opportunities for nanotechnology to enhance electrochemical treatment of pollutants in potable water and industrial wastewater – a perspective126Inverse design of porous materials using artificial neural networks354Machine-Learning-Assisted De Novo Design of Organic Molecules and Polymers: Opportunities and Challenges191A Critical Review of Machine Learning of Energy Materials606Semantic segmentation of the micro-structure of strain-hardening cement-based composites (SHCC) by applying deep learning on micro-computed tomography scans92Genetic algorithm-driven discovery of unexpected thermal conductivity enhancement by disorder90Machine learning: Accelerating materials development for energy storage and conversion370Machine learning as a tool to design glasses with controlled dissolution for healthcare applications98From chemical structure to quantitative polymer properties prediction through convolutional neural networks111Magnetic and superconducting phase diagrams and transition temperatures predicted using text mining and machine learning98Trends in 3D Printing Processes for Biomedical Field: Opportunities and Challenges210Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: A review94Chalcogenides by Design: Functionality through Metavalent Bonding and Confinement3103-D printing of concrete: Beyond horizons260Accelerated design and characterization of non-uniform cellular materials via a machine-learning based framework90Designing complex architectured materials with generative adversarial networks335Machine learning in materials genome initiative: A review231Predicting creep rupture life of Ni-based single crystal superalloys using divide-and-conquer approach based machine learning271Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices509High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms197Deep learning for fabrication and maturation of 3D bioprinted tissues and organs161Prediction of surface chloride concentration of marine concrete using ensemble machine learning284Machine learning assisted materials design and discovery for rechargeable batteries466Artificial Intelligence in Advanced Manufacturing: Current Status and Future Outlook550Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)173Artificial intelligence-enabled smart mechanical metamaterials: advent and future trends147Orbital graph convolutional neural network for material property prediction153Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm387Recent advances in hot tearing during casting of aluminium alloys234ALKEMIE: An intelligent computational platform for accelerating materials discovery and design156A machine learning framework to predict local strain distribution and the evolution of plastic anisotropy & fracture in additively manufactured alloys148Online prediction of mechanical properties of hot rolled steel plate using machine learning215Artificial Intelligence in Materials Modeling and Design98Hierarchical Deep Learning Neural Network (HiDeNN): An artificial intelligence (AI) framework for computational science and engineering182Structure-Based Synthesizability Prediction of Crystals Using Partially Supervised Learning128Machine learning glass transition temperature of styrenic random copolymers94Ultra-fast and accurate binding energy prediction of shuttle effect-suppressive sulfur hosts for lithium-sulfur batteries using machine learning91Yield strength prediction of high-entropy alloys using machine learning130Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm246Accelerating materials discovery using machine learning238Pore-affected fatigue life scattering and prediction of additively manufactured Inconel 718: An investigation based on miniature specimen testing and machine learning approach96Polymer informatics: Current status and critical next steps272Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures96Designed high-performance lithium-ion battery electrodes using a novel hybrid model-data driven approach92Machine learning for advanced energy materials208Predicting stable crystalline compounds using chemical similarity113Machine learning for perovskite materials design and discovery536Machine learning for design of thin-film nanocomposite membranes88Exploration of optimal microstructure and mechanical properties in continuous microstructure space using a variational autoencoder99Applying machine learning approach in recycling129Machine learning for material characterization with an application for predicting mechanical properties139Wood Modification Technologies132Machine learning prediction of activation energy in cubic Li-argyrodites with hierarchically encoding crystal structure-based (HECS) descriptors118The 2021 flexible and printed electronics roadmap213A machine-learning approach to predict creep properties of Cr–Mo steel with time-temperature parameters91A focused review on machine learning aided high-throughput methods in high entropy alloy134Emerging artificial intelligence in piezoelectric and triboelectric nanogenerators155JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics85Machine learning on neutron and x-ray scattering and spectroscopies116Machine learning in predicting mechanical behavior of additively manufactured parts200Bayesian neural networks for uncertainty quantification in data-driven materials modeling191Systems level roadmap for solvent recovery and reuse in industries123Artificial Intelligence Applied to Battery Research: Hype or Reality?503Artificial neural network enabled accurate geometrical design and optimisation of thermoelectric generator91Machine learning and materials informatics approaches in the analysis of physical properties of carbon nanotubes: A review113Novel Materials for Urban Farming91High‐Throughput Experimentation and Computational Freeway Lanes for Accelerated Battery Electrolyte and Interface Development Research140Uncertainty Prediction for Machine Learning Models of Material Properties95Artificial intelligence: machine learning for chemical sciences104Machine learning for design principles for single atom catalysts towards electrochemical reactions116Recent trends in computational tools and data-driven modeling for advanced materials85Advances in Computational Intelligence of Polymer Composite Materials: Machine Learning Assisted Modeling, Analysis and Design285Tackling Climate Change with Machine Learning1015Material research from the viewpoint of functional motifs103Machine learning prediction of the mechanical properties of γ-TiAl alloys produced using random forest regression model112Machine learning analysis of alloying element effects on hydrogen storage properties of AB2 metal hydrides118Intelligent disassembly of electric-vehicle batteries: a forward-looking overview172Machine learning in energy storage materials106Data‐Driven Materials Innovation and Applications187A review of the application of machine learning in water quality evaluation793Material machine learning for alloys: Applications, challenges and perspectives150Systematic analysis of the impact of slurry coating on manufacture of Li-ion battery electrodes via explainable machine learning88Feature selection method reducing correlations among features by embedding domain knowledge101A Generative Approach to Materials Discovery, Design, and Optimization121Digital Innovation Enabled Nanomaterial Manufacturing; Machine Learning Strategies and Green Perspectives90Machine learning for battery research110Machine learning techniques for prediction of capacitance and remaining useful life of supercapacitors: A comprehensive review119A review on the application of molecular descriptors and machine learning in polymer design108Electron Microscopy Studies of Soft Nanomaterials107Enhancing property prediction and process optimization in building materials through machine learning: A review161Designing All-Solid-State Batteries by Theoretical Computation: A Review122Machine Learning for Perovskite Solar Cells and Component Materials: Key Technologies and Prospects170Artificial Intelligence in Physical Sciences: Symbolic Regression Trends and Perspectives241Data quantity governance for machine learning in materials science228Generative artificial intelligence and its applications in materials science: Current situation and future perspectives293Deep Learning in Mechanical Metamaterials: From Prediction and Generation to Inverse Design372Unleashing the Power of Artificial Intelligence in Materials Design179Reviewing and Integrating AEC Practices into Industry 6.0: Strategies for Smart and Sustainable Future-Built Environments124Go with the flow: Rheological requirements for direct ink write printability171From prediction to design: Recent advances in machine learning for the study of 2D materials90Machine learning-enabled constrained multi-objective design of architected materials172Scope of machine learning in materials research—A review230Recent advances in metal-organic framework (MOF)-based agricultural sensors for metal ions: a review103AI methods in materials design, discovery and manufacturing: A review142Machine learning for membrane design in energy production, gas separation, and water treatment: a review111Progress in Single/Multi Atoms and 2D‐Nanomaterials for Electro/Photocatalytic Nitrogen Reduction: Experimental, Computational and Machine Leaning Developments88Synthesis, properties, applications, 3D printing and machine learning of graphene quantum dots in polymer nanocomposites170Machine Learning Aided Design and Optimization of Thermal Metamaterials195AI-Based Metamaterial Design95Machine learning-accelerated discovery of heat-resistant polysulfates for electrostatic energy storage94Artificial intelligence for personalized nanomedicine; from material selection to patient outcomes159Machine Learning-Aided Inverse Design and Discovery of Novel Polymeric Materials for Membrane Separation95SciAgents: Automating Scientific Discovery Through Bioinspired Multi‐Agent Intelligent Graph Reasoning146Wear- and Corrosion-Resistant Coatings for Extreme Environments: Advances, Challenges, and Future Perspectives92Review of machine learning approaches for predicting mechanical behavior of composite materials83

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