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RESEARCH PAPER · Science Advances · 2022

An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials

Yibin Jiang, Daniel Salley, Abhishek Sharma, Graham Keenan, Margaret Mullin, Leroy Cronin

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An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterialsOriginalAn explainable machine-learning approach for revealing the complex synthesis path–property relationships of nanomaterials16An Introduction to Necrobotics: Concept, Architecture, Use Cases, Challenges, Future Directions13Driving school for self-driving labs17Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry52Multi-fidelity Bayesian optimization of covalent organic frameworks for xenon/krypton separations41The assembly of [Mo 2 O 2 S 2 ] 2+ based on polydentate phosphonate templates and their proton conductivity23The future of metal–organic frameworks and covalent organic frameworks: rational synthesis and customized applications35A Review on Artificial Intelligence Enabled Design, Synthesis, and Process Optimization of Chemical Products for Industry 4.076Next-generation intelligent laboratories for materials design and manufacturing25Role of AI in experimental materials science42Can AI Help Improve Water Quality? Towards the Prediction of Degradation of Micropollutants in Wastewater.12How to Accelerate R&D and Optimize Experiment Planning with Machine Learning and Data Science14Toward Rational Design of Ordered Heterostructures for Energy and Environmental Sustainability: A Review15Self-Driving Laboratory for Polymer Electronics86AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning215An Accelerated Method for Investigating Spectral Properties of Dynamically Evolving Nanostructures3MXenes and Their Derivatives for Advanced Solid‐State Energy Storage Devices53Toward the Uniform of Chemical Theory, Simulation, and Experiments in Metaverse Technology9Understanding the Synergies between Quality-Diversity and Deep Reinforcement Learning8Robotic Modules for the Programmable Chemputation of Molecules and Materials38State of the Art and Outlook of Data Science and Machine Learning in Organic Chemistry1Future directions in ceramic additive manufacturing: Fiber reinforcements and artificial intelligence23Data-Driven Exploration of Silver Nanoplate Formation inMultidimensional Chemical Design Spaces1Applications of Transmission Electron Microscopy in Phase Engineering of Nanomaterials82Application of Artificial Intelligence in the Exploration and Optimization of Biomedical Nanomaterials91BONAPARTE robot: improving the reproducibility and identifying critical parameters of the synthesis of gold nanoparticles2Review of Low-cost Self-driving Laboratories: The "Frugal Twin" Concept3Unlocking New Insights for Electrocatalyst Design: A Unique Data Science Workflow Leveraging Internet-Sourced Big Data32Communicating Supraparticles to Enable Perceptual, Information‐Providing Matter11Bimetallic copper-based nanowires and the means to create next-generation stable transparent electrodes8MatGPT: A Vane of Materials Informatics from Past, Present, to Future74The Electrolab: An open-source, modular platform for automated characterization of redox-active electrolytes44Exploration and Insights on Topology Adjustment of Giant Heterometallic Cages Featuring Inorganic Skeletons Assisted by Machine Learning32Impact of noise on inverse design: the case of NMR spectra matching11AI-driven robotic chemist for autonomous synthesis of organic molecules108Smart Dope: A Self‐Driving Fluidic Lab for Accelerated Development of Doped Perovskite Quantum Dots47Breaking boundaries: Artificial intelligence for pesticide detection and eco-friendly degradation50Intelligent design and synthesis of energy catalytic materials25AI Outputs Are Not Protected Speech2ChemGymRL: A customizable interactive framework for reinforcement learning for digital chemistry8Data-driven exploration of silver nanoplate formation in multidimensional chemical design spaces6Review of low-cost self-driving laboratories in chemistry and materials science: the “frugal twin” concept93Expanding the Horizons of Machine Learning in Nanomaterials to Chiral Nanostructures74Transforming research laboratories with connected digital twins19On-Demand Optimization of Colorimetric Gas Sensors Using a Knowledge-Aware Algorithm-Driven Robotic Experimental Platform10Performance metrics to unleash the power of self-driving labs in chemistry and materials science93Revisiting El-Sayed Synthesis: Bayesian Optimization for Revealing New Insights during the Growth of Gold Nanorods12Designing workflows for materials characterization22Bespoke Metal Nanoparticle Synthesis at Room Temperature and Discovery of Chemical Knowledge on Nanoparticle Growth via Autonomous Experimentations16Bayesian Optimization for Quality Diversity Search With Coupled Descriptor Functions11Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy27AEcroscopy: A Software–Hardware Framework Empowering Microscopy Toward Automated and Autonomous Experimentation33Design and Nanoengineering of Photoactive Antimicrobials for Bioapplications: from Fundamentals to Advanced Strategies158Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs75ChatGPT Combining Machine Learning for the Prediction of Nanozyme Catalytic Types and Activities35In Situ Quantitative Monitoring of Adsorption from Aqueous Phase by UV–vis Spectroscopy: Implication for Understanding of Heterogeneous Processes7Progress in the Computer‐Aided Analysis in Multiple Aspects of Nanocatalysis Research4Synthetic Roadmap to a Large Library of Colloidal High-Entropy Rare Earth Oxyhalide Nanoparticles Containing up to Thirteen Metals22Integrating Vision‐Language Models for Accelerated High‐Throughput Nutrition Screening14Curiosity-driven search for novel nonequilibrium behaviors5Machine Learning Optimizing Enzyme/ZIF Biocomposites for Enhanced Encapsulation Efficiency and Bioactivity30Human-Guided Metaverse Synthesis for Quantum Dots: Advancing Nanomaterial Research through Augmented Artificial Intelligence2Self-Driving Laboratories for Chemistry and Materials Science674Towards the automation of nanoparticle syntheses: The case study of gold nanoparticles obtained at room temperature9Exploring the potential of simple automation concepts for quantifying functional groups on nanomaterials with optical assays6Digital manufacturing of perovskite materials and solar cells12When Metal Nanoclusters Meet Smart Synthesis31Algorithm-Driven Robotic Discovery of Polyoxometalate-Scaffolding Metal–Organic Frameworks34Automated synthesis and processing of functional nanomaterials: Advances and perspectives27Advancements and Applications of Artificial Intelligence in Pharmaceutical Sciences: A Comprehensive Review16Aspects-based representative significance of Machine Learning algorithms & natural language processing applications in nanotechnology.2Intelligent Nanomaterial Image Characterizations – A Comprehensive Review on AI Techniques that Power the Present and Drive the Future of Nanoscience17Rapid Chemical Synthesis of High-Entropy Oxide Colloids under Ambient Conditions6Autonomous mobile robots for exploratory synthetic chemistry215OCTOPUS: operation control system for task optimization and job parallelization via a user-optimal scheduler12Elymus Repens Optimization (ERO); A Novel Agricultural-Inspired Algorithm0Convergence of Nanotechnology and Machine Learning: The State of the Art, Challenges, and Perspectives61Data-driven analysis of text-mined seed-mediated syntheses of gold nanoparticles12Properties optimisation of nanostructures via machine learning: Progress and perspective3How does artificial intelligence affect manufacturing firms' energy intensity?93Automated Gold Nanorod Spectral Morphology Analysis Pipeline12Integration of Nanoengineering with Artificial Intelligence and Machine Learning in Surface‐Enhanced Raman Spectroscopy (SERS) for the Development of Advanced Biosensing Platforms43Machine learning assisted reactor and full process optimization design for alcohol oxidation10A revolutionary paradigm in chemistry and materials science research: self-driving laboratories8Automated electron microscopy sample preparation system2Embodied Artificial Intelligence Must Learn Laboratory Constraints before It Can Autonomously Conduct Pharmaceutical Experiments0Enhancing deep chemical reaction prediction with advanced chirality and fragment representation1Introduction to necrobotics0Machine learning anomaly detection of automated HPLC experiments in the cloud laboratory5Surface chemistry-engineered perovskite quantum dot photovoltaics97Sustainable carbon materials in environmental and energy applications47Sustainable catalysts in a short time: harnessing bacteria for swift palladium nanoparticle production6Nanoparticles in Drug Delivery1Artificial Intelligence Enabled Biomineralization for Eco‐Friendly Nanomaterial Synthesis: Charting Future Trends56Self-driving lab for the photochemical synthesis of plasmonic nanoparticles with targeted structural and optical properties60A Self-Driving Lab for Nano- and Advanced Materials Synthesis33Machine learning algorithms for predicting the photoionization cross section of CdS/ZnSe core/shell spherical quantum dots surrounded by dielectric matrices17AI-driven innovations in smart multifunctional nanocarriers for drug and gene delivery: A mini-review75Precise nanoscale fabrication technologies, the “last mile” of medicinal development82Traversing the Periodic Table through Phase‐Separating Nanoreactors6Chemical AI in the Limelight: The Contribution of Photochromic Materials and Oscillatory Chemical Reactions18Of War and Peace, and Chemistry4A Mind Map to Address the Next Generation of Artificial Photosynthesis Experiments3Recent Developments in Automated Reactors for Plasmonic Nanoparticles1Artificial intelligence driven platform for rapid catalytic performance assessment of nanozymes33Intelligent Systems for Inorganic Nanomaterial Synthesis38Artificial intelligence for catalyst design and synthesis93Self-driving nanoparticle synthesis0Functionalized Mesoporous Silica Nanoparticles for the Delivery of 3,3'-diindolylmethane to Triple-negative Breast Cancer Cells0Photocatalytic and photothermal catalytic CO2 reduction with H2O from regulatory mechanism to catalyst structure design: a review16Multimodal Machine Learning Analysis of GaSe Molecular Beam Epitaxy Growth Conditions8Advances in relaxation and memory effects of magnetic nanoparticles for biomedical applications17Can automated gold nanoparticle synthesis drive the next wave of biomedical innovation?0Perspective on Nano-Enabled Photostimulation Biointerfaces7Natural-Language-Interfaced Robotic Synthesis for AI-Copilot-Assisted Exploration of Inorganic Materials23Machine Learning‐Enhanced Nanoparticle Design for Precision Cancer Drug Delivery60Synthesis of On-Demand Gold Nanoparticles with Precision Morphologies through an Automatic Feedback Control Quenching System4Reaching new frontiers in nanoelectronics through artificial intelligence4Bioinspired multifunctional antifogging surfaces: Progress, AI design and challenges14Material intelligence by the convergence of artificial intelligence and robotic platforms16Is ‘Green’ Gold and Silver Nanoparticle Synthesis Environmentally Friendly?13Exploration on optimization of synthetic routes for thermal stability of functional materials0Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective14Autonomous discovery of functional random heteropolymer blends through evolutionary formulation optimization12You Only Put Your Nanoparticle: A Fully Automated System for Nanoparticle Washing Enabled by Vision and Language AI0Autonomous Materials Synthesis Laboratories: Integrating Artificial Intelligence with Advanced Robotics for Accelerated Discovery4Smart CAR-T Nanosymbionts: archetypes and proto-models22Autonomous multi-robot synthesis and optimization of metal halide perovskite nanocrystals20Tooling Artificial Intelligence in Polymeric Nanofillers: A Review0Progress and strategies in advanced aerospace materials for extreme environments: A review25AI‐Driven Advances in Sustainable Materials for Green Energy: From Innovation to Lifecycle Management3133 Unresolved Questions in Nanoscience and Nanotechnology58Recent Advances in Metal Nanoclusters: From Novel Synthesis to Emerging Applications27Benchmarking self-driving labs13Precision Medicine: The Road to In Vivo Synthetic Therapeutic Agent2Automated Digital Discovery and Synthesis of CuO-Based Nanoparticle Heterostructures for Catalysis1Multicarrier Nanoplatforms for Precise Targeting of Cellular Energy Centers in Ischemic Heart Disease Therapy1Automated Benchtop Synthesis of a Quadrillion-Plus Member Core@Multishell Nanoparticle Library Using a Massively Generalizable Nanochemical Reaction5Utilizing Similarity Measures to Map Chemical Reactivity2Utilizing Similarity Measures to Map Chemical Reactivity0Chiral Inorganic Nanomaterials: Exploring New Horizons in Catalysis Through Symmetry Breaking9AI-driven design of multifunctional nanomaterials in revolutionizing high-temperature, high-power solutions for space technology: potentials, challenges and perspectives6MODNet: A Monocular Object-Based Depth Estimation Network for AI Robotic Chemists2Recent advances in stable halide perovskite nanocrystals for optoelectronic devices, biological imaging, and X-ray detection12Utilizing a SHAP-Assisted Machine Learning Algorithm for Optimization of Plasmonic Properties of Gold Nanostructure1Surface Ligands in Nanocrystal Electrocatalysis: A Double‐Edged Sword8Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model6Adaptive AI decision interface for autonomous electronic material discovery10Bonding Mechanisms Underpinning Structural and Electronic Properties of Halide Perovskites2Automated Nanocrystal Synthesis: Lessons from 25 Years of Robots, Microfluidics, and Machine Learning7

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