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RESEARCH PAPER · Nature Synthesis · 2024

Navigating phase diagram complexity to guide robotic inorganic materials synthesis

Jiadong Chen, Samuel R. Cross, Lincoln J. Miara, Jeong‐Ju Cho, Yan Eric Wang, Wenhao Q. Sun

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Navigating phase diagram complexity to guide robotic inorganic materials synthesisOriginalThe Problem of Irreversible Decisions in Autonomous Materials Optimization0Autonomous experiments using active learning and AI61Semiautomated Experiments to Accelerate the Design of Advanced Battery Materials: Combining Speed, Low Cost, and Adaptability20Should We Teach AI a Better Scientific Method?5A high throughput synthetic workflow for solid state synthesis of oxides9Autonomous laboratories for accelerated materials discovery: a community survey and practical insights33Autonomous robotic experimentation system for powder X-ray diffraction19Sapiential battery systems: beyond traditional electrochemical energy81Assessing Phase Stability in High-Entropy Materials by Design of Experiments: The Case of the (Mg,Ni,Co,Cu,Zn)O System21Memory Effect on the Synthesis of Perovskite-Type Li-Ion Conductor LixLa2/3–x/3TiO3 (LLTO)15Robotic synthesis decoded through phase diagram mastery5Computationally Guided Synthesis of Battery Materials11Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis27Review of the opportunities and limitations for powder-based high-throughput solid-state processing of advanced functional ceramics36A multi-agent-driven robotic AI chemist enabling autonomous chemical research on demand7A multi-agent-driven robotic AI chemist enabling autonomous chemical research on demand4A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16Self-Driving Laboratories for Chemistry and Materials Science674Diffusion mechanisms of fast lithium-ion conductors171Braving the Elements: Learning from 60+ Dopants in Battery Materials12Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions5Exploring new useful phosphors by combining experiments with machine learning10De novo Design of Biocompatible Nanomaterials Using Quasi-SMILES and Recurrent Neural Networks13A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions7A digital laboratory with a modular measurement system and standardized data format13Autonomous Laboratories and Closed-Loop Materials Discovery: A Conceptual Framework for Self-Driving Experimentation0Optimization of robotic liquid handling as a capacitated vehicle routing problem4Data-driven prediction of chemically relevant compositions in multi-component systems using tensor embeddings1A Multiagent-Driven Robotic AI Chemist Enabling Autonomous Chemical Research On Demand167A front-end fusion feature-based machine learning engine for rechargeable battery manufacturing accelerates screening of organic electrodes5Intelligent Systems for Inorganic Nanomaterial Synthesis38Controllable Crystalline Phases of Multi‐Cation Oxides2Revolutionizing clean energy labs: Robotic imitation learning for efficient fabrication AI-powered electrical units assembly platform3Kinetic effects of ball-milling precursors on the synthesis pathway of KSbF40SCU-Hand: Soft Conical Universal Robotic Hand for Scooping Granular Media from Containers of Various Sizes3AI-Robot-Driven Autonomous Synthesis of Functional Inorganic Thin Films0Accelerated development of battery materials leveraging artificial intelligence and automation3Artificial Intelligence‐Driven Approaches in Semiconductor Research44Artificial intelligence-driven catalyst design for electrocatalytic hydrogen production: Paradigm innovation and challenges in material discovery14Self‐Evolving Discovery of Carrier Biomaterials with Ultra‐Low Nonspecific Protein Adsorption for Single Cell Analysis6Kernel learning assisted synthesis condition exploration for ternary spinel1Artificial Intelligence for Materials Discovery, Development, and Optimization171Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Affordable Automated Modules for Lab‐Scale High‐Throughput Synthesis of Inorganic Materials4Synthetic Accessibility and Sodium Ion Conductivity of the Na8–xAxP2O9 (NAP) High-Temperature Sodium Superionic Conductor Framework2Robotic system for chemical experiment automation with dual demonstration of end-effector and jig operations1Ultrafast synthesis of ternary oxides via a design-test-make-analyze workflow1AI‐Driven Advances in Sustainable Materials for Green Energy: From Innovation to Lifecycle Management31High-throughput platforms for machine learning-guided lipid nanoparticle design33Advances in metastable phase catalysis with thermodynamic-kinetic adaptability13A quantitative criterion for evidencing predicted compounds in high-throughput powder X-ray diffraction data: Illustration with half-antiperovskite0Using high-throughput processing and characterization methods to investigate the role of synthesis conditions on the energy storage properties of a high entropy oxide0Identification of Impurity-Minimizing Synthesis Pathways for LAGP via Thermodynamic and Chemical Reaction Network-Based Analysis0Uncovering battery electrochemical mechanisms by artificial intelligence22Accelerating phase diagram construction through activity coefficient prediction0Phase Diagrams Enable Solid‐State Battery Design0Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials8Toward AI ecosystems for electrolyte and interface engineering in solid-state batteries23ALBATROSS: a robotised system for high-throughput electrolyte screening via automated electrolyte formulation, coin-cell fabrication, and electrochemical evaluation5Combinatorial to autonomous experimentation0Entropy in materials design: modelling entropic stabilisation of crystalline materials1Informatics for thermodynamics: Stability to synthesizability0Navigating the landscape of modular reconfigurable laboratory automation in chemistry1Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation4Artificial Intelligence Empowered New Materials: Discovery, Synthesis, Prediction to Validation15Bridging theory and experiment in materials discovery: Machine-learning-assisted prediction of synthesizable structures3Formation pathway of high-efficiency kesterite solar cells fabricated through molecular ink chemistry15Orchestration of heterogeneous experimental machines via ROS2 for automated bulk intermetallic synthesis2Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction6Two-Step Growth of Layered Perovskite Y 2 Ti 2 O 5 S 2 Yields Faceted Crystals with Controlled Size and Morphology1Multi-Objective Optimization of Grasping Trajectories for Manipulator with Improved OMOPSO0Data-driven prediction of solid state reaction pathways in the synthesis of ferrites2High-Throughput Electrochemistry Using Scanning Electrochemical Cells4Identifying critical powder properties for high-throughput dispensing of alumina and organic templates0Connecting the Dots: Discovery of the (M 2 Q 3 ) 2 (AMQ 2 ) n Homologous Series through Cs 5 Bi 9 S 16 ( n = 5)0Constructing a Virtual Furnace for Solid-State Thermodynamic Models0AI for Accelerated Materials Discovery: From Generative Design to Autonomous Realization2An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space0Chemically bonded single phase ternary anode materials for alkali metal ion batteries: Intrinsic mechanisms and design perspectives0Development of an automated evaluation system for the process-structure-property relationship of structural metallic materials towards autonomous exploration0Scalable perovskite–ceria nanointerfaces with oxide–oxide charge transfer for robust CO oxidation0Diffusion-Limited Solid-State Synthesis Selectivity in the Presence of Oxidation/Reduction Processes0

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