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RESEARCH PAPER · Nature Reviews Materials · 2021

Nanoparticle synthesis assisted by machine learning

Huachen Tao, Tianyi Wu, Matteo Aldeghi, Tony Wu, Alán Aspuru‐Guzik, Eugenia Kumacheva

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Nanoparticle synthesis assisted by machine learningOriginalSelf‐Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning134New trends in nonconventional carbon dot synthesis60Machine learning and materials informatics approaches in the analysis of physical properties of carbon nanotubes: A review113Bright Future of Gold Nanoclusters in Theranostics59Automated COVID-19 and Heart Failure Detection Using DNA Pattern Technique with Cough Sounds27Controlling Nucleation Pathways in Zeolite Crystallization: Seeding Conceptual Methodologies for Advanced Materials Design156Accelerating colloidal quantum dot innovation with algorithms and automation30Emerging nanosensor platforms and machine learning strategies toward rapid, point-of-need small-molecule metabolite detection and monitoring62Machine Learning Utilized for the Development of Proton Exchange Membrane Electrolyzers51Recent advances in biomaterial-boosted adoptive cell therapy65Regulating the Tip Effect on Single‐Atom and Cluster Catalysts: Forming Reversible Oxygen Species with High Efficiency in Chlorine Evolution Reaction45Regulating the Tip Effect on Single‐Atom and Cluster Catalysts: Forming Reversible Oxygen Species with High Efficiency in Chlorine Evolution Reaction148Computational modelling and microfluidics as emerging approaches to synthesis of silver nanoparticles – A review51Merging data curation and machine learning to improve nanomedicines113Smart materials: rational design in biosystems via artificial intelligence107Nanochemistry advancing photon conversion in rare-earth nanostructures for theranostics127Artificial intelligence to bring nanomedicine to life189Autonomous high-throughput computations in catalysis29Materials Data toward Machine Learning: Advances and Challenges62Prediction and Design of Nanozymes using Explainable Machine Learning192Trends in Droplet Microfluidics: From Droplet Generation to Biomedical Applications114Engineered 2D materials for optical bioimaging and path toward therapy and tissue engineering30High-Throughput Computational Discovery and Intelligent Design of Two-Dimensional Functional Materials for Various Applications78Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery552Nanocomposites based on doped ZnO nanoparticles for antibacterial applications37Understanding Synthesis–Structure–Performance Correlations of Nanoarchitectured Activated Carbons for Electrochemical Applications and Carbon Capture175Intelligent control of nanoparticle synthesis on microfluidic chips with machine learning102Where Nanosensors Meet Machine Learning: Prospects and Challenges in Detecting Disease X77Factors affecting the growth formation of nanostructures and their impact on electrode materials: A systematic review58Biogenic Synthesis of Copper-Based Nanomaterials Using Plant Extracts and Their Applications: Current and Future Directions68Machine Learning Assisted Graphdiyne-Based Nanozyme Discovery55An artificial intelligence enabled chemical synthesis robot for exploration and optimization of nanomaterials192Hierarchical Materials from High Information Content Macromolecular Building Blocks: Construction, Dynamic Interventions, and Prediction82Machine Learning Guided Discovery of Superoxide Dismutase Nanozymes for Androgenetic Alopecia102Machine learning methods for aerosol synthesis of single-walled carbon nanotubes34A Nanomedicine Structure–Activity Framework for Research, Development, and Regulation of Future Cancer Therapies50Biomass-based materials for solar-powered seawater evaporation61Fluorescent Multifunctional Organic Nanoparticles for Drug Delivery and Bioimaging: A Tutorial Review41Toward Quantitative Surface-Enhanced Raman Scattering with Plasmonic Nanoparticles: Multiscale View on Heterogeneities in Particle Morphology, Surface Modification, Interface, and Analytical Protocols122Recent Development of Fluorescent Nanodiamonds for Optical Biosensing and Disease Diagnosis60Design, characterization and applications of nanocolloidal hydrogels65Recent advances in atomically precise metal nanoclusters for electrocatalytic applications60Validating and Utilizing Machine Learning Methods to Investigate the Impacts of Synthesis Parameters in Gold Nanoparticle Synthesis29Oriented Assembled Prussian Blue Analogue Framework for Confined Catalytic Decomposition of Ammonium Perchlorate53Re-envisioning the design of nanomedicines: harnessing automation and artificial intelligence43Lattice Oxygen Activation for Enhanced Electrochemical Oxygen Evolution50Machine learning for nanoplasmonics149Machine‐Learning‐Assisted Nanozyme Design: Lessons from Materials and Engineered Enzymes161The rise of self-driving labs in chemical and materials sciences570A review on microfluidic-assisted nanoparticle synthesis, and their applications using multiscale simulation methods154Closed-loop optimization of nanoparticle synthesis enabled by robotics and machine learning72Review of roll-to-roll fabrication techniques for colloidal quantum dot solar cells37Combinatorial synthesis for AI-driven materials discovery114AlphaFlow: autonomous discovery and optimization of multi-step chemistry using a self-driven fluidic lab guided by reinforcement learning215Carbon Dots for Electroluminescent Light‐Emitting Diodes: Recent Progress and Future Prospects121Artificial Intelligence in Material Engineering: A Review on Applications of Artificial Intelligence in Material Engineering65Lithium-ion battery thermal management via advanced cooling parameters: State-of-the-art review on application of machine learning with exergy, economic and environmental analysis48Nanomaterial-based contrast agents132The role of machine learning in carbon neutrality: Catalyst property prediction, design, and synthesis for carbon dioxide reduction62Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use37Converting Nanotoxicity Data to Information Using Artificial Intelligence and Simulation85AI for Nanomaterials Development in Clean Energy and Carbon Capture, Utilization and Storage (CCUS)122Silicon nanoparticles: Comprehensive review on biogenic synthesis and applications in agriculture96Recent Advances and Clinical Potential of Near Infrared Photothermal Conversion Materials for Photothermal Hepatocellular Carcinoma Therapy122Synthesis of nanoparticles via microfluidic devices and integrated applications47SLI-GNN: A Self-Learning-Input Graph Neural Network for Predicting Crystal and Molecular Properties30Structural Transformation of Unconventional-Phase Materials33Applications of machine learning in supercritical fluids research47Machine learning assisted phase and size-controlled synthesis of iron oxide particles36Nanomedicine in cancer therapy878STING agonist-boosted mRNA immunization via intelligent design of nanovaccines for enhancing cancer immunotherapy53B‐Site Doping of Metal Halide Perovskite Nanoplatelets Influences Their Optical Properties33Application of Machine Learning in Material Synthesis and Property Prediction166How Amorphous Nanomaterials Enhanced Electrocatalytic, SERS, and Mechanical Properties82A narrative review of the synthesis, characterization, and applications of iron oxide nanoparticles71Artificial Intelligence for Surface‐Enhanced Raman Spectroscopy149Exploring and Analyzing the Systemic Delivery Barriers for Nanoparticles79Accelerating the Design of Multishell Upconverting Nanoparticles through Bayesian Optimization37Accelerated chemical science with AI86Machine learning-driven approaches for synthesizing carbon dots and their applications in photoelectrochemical sensors29Artificial intelligence-powered electronic skin255Metal oxide -based electrical/electrochemical sensors for health monitoring systems37Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges103Advancements in nanomaterials for nanosensors: a comprehensive review334AI-enhanced biomedical micro/nanorobots in microfluidics66Exploring the emerging trends in the synthesis and theranostic paradigms of cerium oxide nanoparticles (CeONPs): A comprehensive review71Integrating machine learning for the optimization of polyacrylamide/alginate hydrogel42Machine learning for carbon dot synthesis and applications50Machine learning-guided high throughput nanoparticle design107Turmeric extract-mediated biogenic synthesis of Ag@SeO 2 magnetic nanoparticles: characterization, optimization, antibacterial and antioxidant activities44Artificial intelligence generates novel 3D printing formulations52Expanding the Horizons of Machine Learning in Nanomaterials to Chiral Nanostructures74Decoding Nanomaterial‐Biosystem Interactions through Machine Learning38Machine Learning Techniques for Improving Nanosensors in Agroenvironmental Applications59Experimentally validated inverse design of multi-property Fe-Co-Ni alloys30Design and Nanoengineering of Photoactive Antimicrobials for Bioapplications: from Fundamentals to Advanced Strategies158Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs75Designing semiconductor materials and devices in the post-Moore era by tackling computational challenges with data-driven strategies33A review on the applications of graph neural networks in materials science at the atomic scale62Machine intelligence accelerated design of conductive MXene aerogels with programmable properties72Precision drug delivery to the central nervous system using engineered nanoparticles143Efficient Removal of Greenhouse Gases: Machine Learning-Assisted Exploration of Metal–Organic Framework Space32Machine learning driven performance enhancement of perovskite solar cells with CNT as both hole transport layer and back contact53A droplet robotic system enabled by electret-induced polarization on droplet28Surface-Enhanced Raman Scattering Nanosensing and Imaging in Neuroscience40Unveiling Green Synthesis and Biomedical Theranostic paradigms of Selenium Nanoparticles (SeNPs) - A state-of-the-art comprehensive update65Machine Learning Optimizing Enzyme/ZIF Biocomposites for Enhanced Encapsulation Efficiency and Bioactivity30Computational and Machine Learning Methods for CO 2 Capture Using Metal–Organic Frameworks74Synthesis, dispersion, functionalization, biological and antioxidant activity of metal oxide nanoparticles: Review36Lanthanide ion-doped upconversion nanoparticles for low-energy super-resolution applications73When Metal Nanoclusters Meet Smart Synthesis31Machine learning-based design of electrocatalytic materials towards high-energy lithium||sulfur batteries development102Designing nanotheranostics with machine learning207Machine learning applications in nanomaterials: Recent advances and future perspectives94Generative artificial intelligence and optimisation framework for concrete mixture design with low cost and embodied carbon dioxide30Core‐Shell Colloidal Quantum Dots for Energy Conversion48Artificial intelligence and machine learning at various stages and scales of process systems engineering36Convergence of Nanotechnology and Machine Learning: The State of the Art, Challenges, and Perspectives61The application of machine learning in 3D/4D printed stimuli-responsive hydrogels30Transforming the synthesis of carbon nanotubes with machine learning models and automation42Artificial intelligence-driven hydrogel microneedle patches integrating 5-fluorouracil inclusion complex-loaded flexible pegylated liposomes for enhanced non-melanoma skin cancer treatment29Optimizing CO 2 electroreduction: theoretical insights for enhancing efficiency across elementary steps65Surface chemistry-engineered perovskite quantum dot photovoltaics97Sustainable carbon materials in environmental and energy applications47Nanoscale reference and test materials for the validation of characterization methods for engineered nanomaterials — current state, limitations, and needs50MXenes and its composite structures: synthesis, properties, applications, 3D/4D printing, and artificial intelligence; machine learning integration78Self-driving lab for the photochemical synthesis of plasmonic nanoparticles with targeted structural and optical properties60Advancing perovskite photovoltaic technology through machine learning‐driven automation49Leveraging Artificial Intelligence and Machine Learning for Characterizing Protein Corona, Nanobiological Interactions, and Advancing Drug Discovery42Nanomaterial-Based Molecular Imaging in Cancer: Advances in Simulation and AI Integration62Artificial Intelligence-Powered Surface-Enhanced Raman Spectroscopy for Biomedical Applications65Intelligent Systems for Inorganic Nanomaterial Synthesis38Applications of density functional theory and machine learning in nanomaterials: A review51Artificial intelligence for catalyst design and synthesis93A guided review of machine learning in the design and application for pore nanoarchitectonics of carbon materials85Machine learning reshapes the paradigm of nanomedicine research39Artificial Intelligence‐Driven Approaches in Semiconductor Research44Machine Learning‐Enhanced Nanoparticle Design for Precision Cancer Drug Delivery60Large language models to accelerate organic chemistry synthesis48Machine Learning and Artificial Intelligence in Nanomedicine141Cutting‐Edge Developments at the Interface of Inorganic Solid‐State Electrolytes38Machine learning techniques for lipid nanoparticle formulation35Surface engineering of nanoparticles for precision medicine53Harnessing plant extracts for green nanoparticle synthesis: Toward a sustainable future28MOF-derived nanomaterials: Transformative innovations for renewable energy and environmental sustainability66Machine learning empowered formulation design, optimization and characterization of nanoparticulate drug delivery systems: Current applications, challenges, and future perspectives49Artificial intelligence and machine learning for plasmonic and surface-enhanced sensing37Artificial intelligence-powered nanomedicine29Artificial intelligence and machine learning guided optimization in drug delivery36Nanoparticles-based phototherapy systems: molecular mechanisms and clinical applications28

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