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RESEARCH PAPER · Nature Synthesis · 2022

Chemical synthesis and materials discovery

Anthony Kevin Cheetham, Ram Seshadri, Fred Wudl

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Chemical synthesis and materials discoveryOriginalComputational modeling to assist in the discovery of supramolecular materials20Computational Study of RNA-based Buckyballs Performance in Drug Delivery Process: Molecular Dynamics Approach0Ion‐Selective Microporous Polymer Membranes with Hydrogen‐Bond and Salt‐Bridge Networks for Aqueous Organic Redox Flow Batteries79Metastability and Photoelectrochemical Properties of Cu 2 SnO 3 and Cu 2– x Li x TiO 3 : Two Cu(I)-Based Oxides with Delafossite Structures12Structural, elastic, and electronic properties of BC12 carbon under pressure7A robotic platform for the synthesis of colloidal nanocrystals169Combinatorial synthesis for AI-driven materials discovery114Synthesis and Optoelectronic Applications of dπ–pπ Conjugated Polymers with a Di‐metallaaromatic Acceptor16Synthesis and Optoelectronic Applications of dπ–pπ Conjugated Polymers with a Di‐metallaaromatic Acceptor0Electrochemical Control of Magnetism on the Breathing Kagome Network of Li x ScMo 3 O 87Glass formulation and composition optimization with property models: A review36High-pressure reactions between the pnictogens: the rediscovery of BiN10Comprehensive Study of Lithium Diffusion in Si/C-Layer and Si/C3N4 Composites in a Faceted Crystalline Silicon Anode for Fast-Charging Lithium-Ion Batteries16Hydrogen-bonded organic frameworks (HOFs): Multifunctional material on analytical monitoring79A route to carbon-sp 3 bridging spiro-molecules: synthetic methods and optoelectronic applications16Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery149Navigating phase diagram complexity to guide robotic inorganic materials synthesis82Professor Sir Anthony K. Cheetham: A half-century of transformative materials science0Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials14Inorganic Metal Thiocyanates24Large Language Models for Inorganic Synthesis Predictions73Artificial intelligence-assisted design of new chemical materials: a perspective3A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16Tolerance Factor Approach for the Design of Quaternary Materials as Applied to the A2Ln4Cu2nQ7+n Homologous Series7Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions5Enhancing the thermoelectric figure of merit of BiN via polymorphism, pressure, and nanostructuring5The Changing Landscape of Materials Discovery0A revolutionary paradigm in chemistry and materials science research: self-driving laboratories8Adaptive subspace Bayesian optimization over molecular descriptor libraries for data-efficient chemical design5Establishing baselines for generative discovery of inorganic crystals10First-Principles Calculation of Lithium and Sodium Ion Diffusion in Crystalline Silicon Suboxide for Next-Generation Battery Anodes3AI-Accelerated Electronic Materials Discovery and Development7Solid-State-Electrolyte Reactor: New Opportunity for Electrifying Manufacture19Advances in the Design and Discovery of Organic Semiconductors Aided by Machine Learning18USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset2Redefining Catalytic Boundaries: Precise Design and Engineering of Nanoscale Partnerships in Nanoparticle-Regulated Single-Atom Catalysts for Multifunctional Applications10Artificial Intelligence‐Driven Approaches in Semiconductor Research44Synthesis-Aware Materials Redesign via Large Language Models12Linking battery electrode science with correlated and quantum materials0The consolidation of open-source computer-assisted chemical synthesis data into a comprehensive database0The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?5Autonomous AI Agents in Scientific Discovery – How Agentic AI Accelerates Research in Drug Design, Materials Science, or Climate Modeling0Combinatorial to autonomous experimentation0Informatics for thermodynamics: Stability to synthesizability0Morphology-engineered nanoadsorbents with ultrahigh nitrogen content (>30 wt%) for enhanced PFOS capture0Combining Compositional Screening via Hydride Route, Machine Learning, and In Situ Diffraction to Discover Antimonides in the K–Cd–Sb System3Adding Another Syngony to the K–Cd–Sb System: Synthesis, Structure, and Properties of Cubic, Clathrate-Like K 3 Cd 12 Sb 101Reducing self-interaction error in transition-metal oxides with different exact-exchange fractions for energy and density3Ladder‐Like Structural Architecture of Layered Magnetic A 2.4 Cr 8 Te 14 ( A = Rb, Cs) Compounds by Self‐Flux Synthesis0Naturally Asymmetric Plant Polyphenol Linkers Enable Robust Metal-Organic Frameworks with Built-In Structural Heterogeneity0Quantifying the Kinetics of UiO-66 Metal−Organic Framework Crystallization from X-ray Attenuation in the Zr K-Edge Region0Temporal engineering of MOF skeletons: Emerging opportunities in energy storage and molecular motors1Discovery at the Interface between Known Structure Types: The Layered Y10Ni x Cu1– x Ti4O24 Family0Magnetically Induced Oxygen Vacancies and Spin Canting in GdO x Nanoprobes for Enhanced T 1-Weighted MRI0A collaborative agent with two lightweight synergistic models for autonomous crystal materials research0

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  1. Computational modeling to assist in the discovery of supramolecular materials

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  2. Computational Study of RNA-based Buckyballs Performance in Drug Delivery Process: Molecular Dynamics Approach

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  3. Ion‐Selective Microporous Polymer Membranes with Hydrogen‐Bond and Salt‐Bridge Networks for Aqueous Organic Redox Flow Batteries

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  4. Metastability and Photoelectrochemical Properties of Cu 2 SnO 3 and Cu 2– x Li x TiO 3 : Two Cu(I)-Based Oxides with Delafossite Structures

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  5. Structural, elastic, and electronic properties of BC12 carbon under pressure

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  6. A robotic platform for the synthesis of colloidal nanocrystals

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  7. Combinatorial synthesis for AI-driven materials discovery

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  8. Synthesis and Optoelectronic Applications of dπ–pπ Conjugated Polymers with a Di‐metallaaromatic Acceptor

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  9. Synthesis and Optoelectronic Applications of dπ–pπ Conjugated Polymers with a Di‐metallaaromatic Acceptor

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  10. Electrochemical Control of Magnetism on the Breathing Kagome Network of Li x ScMo 3 O 8

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  11. Glass formulation and composition optimization with property models: A review

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  12. High-pressure reactions between the pnictogens: the rediscovery of BiN

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  13. Comprehensive Study of Lithium Diffusion in Si/C-Layer and Si/C3N4 Composites in a Faceted Crystalline Silicon Anode for Fast-Charging Lithium-Ion Batteries

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  14. Hydrogen-bonded organic frameworks (HOFs): Multifunctional material on analytical monitoring

    TrAC Trends in Analytical Chemistry · 2023-11-16

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  15. A route to carbon-sp 3 bridging spiro-molecules: synthetic methods and optoelectronic applications

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  16. Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery

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  17. Navigating phase diagram complexity to guide robotic inorganic materials synthesis

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  18. Professor Sir Anthony K. Cheetham: A half-century of transformative materials science

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  19. Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials

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  22. Artificial intelligence-assisted design of new chemical materials: a perspective

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  24. Tolerance Factor Approach for the Design of Quaternary Materials as Applied to the A2Ln4Cu2nQ7+n Homologous Series

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  49. Ladder‐Like Structural Architecture of Layered Magnetic A 2.4 Cr 8 Te 14 ( A = Rb, Cs) Compounds by Self‐Flux Synthesis

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