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RESEARCH PAPER · Nature Communications · 2019

Linking synthesis and structure descriptors from a large collection of synthetic records of zeolite materials

Koki Muraoka, Yuki Sada, Daiki Miyazaki, Watcharop Chaikittisilp, Tatsuya Okubo

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Linking synthesis and structure descriptors from a large collection of synthetic records of zeolite materialsOriginalExtracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning97Machine Learning for Catalysis Informatics: Recent Applications and Prospects613Mesoporous trimetallic PtPdAu alloy films toward enhanced electrocatalytic activity in methanol oxidation: unexpected chemical compositions discovered by Bayesian optimization67Molecular level nucleation mechanisms of hierarchical MFI and MOR zeolite structures via non-stochastic pathways7Seed-Assisted zeolite synthesis: The impact of seeding conditions and interzeolite transformations on crystal structure and morphology96Synthesis and Post‐Synthesis Transformation of Germanosilicate Zeolites80Synthesis and Post‐Synthesis Transformation of Germanosilicate Zeolites5Big-Data Science in Porous Materials: Materials Genomics and Machine Learning599Studies on the synthesis of ZSM-5 by interzeolite transformation from zeolite Y without using organic structure directing agents34Electrodeposition Fabrication of Chalcogenide Thin Films for Photovoltaic Applications65Machine learning in experimental materials chemistry66High Throughput Methods in the Synthesis, Characterization, and Optimization of Porous Materials127Machine learning-based discrete element reaction model for predicting the dechlorination of poly (vinyl chloride) in NaOH/ethylene glycol solvent with ball milling13Structure-function Relationships of Porous Ionic Crystals (PICs) Based on Polyoxometalate Anions and Oxo-centered Trinuclear Metal Carboxylates as Counter Cations25The Role of Machine Learning in the Understanding and Design of Materials433Structure–direction towards the new large pore zeolite NUD-324Data science assisted investigation of catalytically active copper hydrate in zeolites for direct oxidation of methane to methanol using H2O223Accelerated Discovery of Zeolite Structures with Superior Mechanical Properties via Active Learning26Failure-Experiment-Supported Optimization of Poorly-Reproducible Synthetic Conditions for Novel Lanthanide Metal-Organic Frameworks0Facile Hydrothermal Synthesis of EAB‐Type Zeolite under Static Synthesis Conditions5Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks105Atomistic simulation study of the adsorptive separation of hydrogen sulphide/alkane mixtures on all-silica zeolites2Synthesis and application of (nano) zeolites6Catalyze Materials Science with Machine Learning67Relationships between Changes in Guest Ion Properties and in the Host Framework Topology in Ionic Coordination Polymers2The Role of Zeolite Framework in Zeolite Stability and Catalysis from Recent Atomic Simulation17Harnessing artificial intelligence to holistic design and identification for solid electrolytes51Emerging applications of zeolites in catalysis, separation and host–guest assembly585Machine‐Learning‐Assisted Selective Synthesis of a Semiconductive Silver Thiolate Coordination Polymer with Segregated Paths for Holes and Electrons27Machine‐Learning‐Assisted Selective Synthesis of a Semiconductive Silver Thiolate Coordination Polymer with Segregated Paths for Holes and Electrons3A priori control of zeolite phase competition and intergrowth with high-throughput simulations174Recent machine learning guided material research - A review12Failure‐Experiment‐Supported Optimization of Poorly Reproducible Synthetic Conditions for Novel Lanthanide Metal‐Organic Frameworks with Two‐Dimensional Secondary Building Units**12Material Evolution with Nanotechnology, Nanoarchitectonics, and Materials Informatics: What will be the Next Paradigm Shift in Nanoporous Materials?163No more trial and error for zeolites11Study of the Relationship between Synthesis Descriptors and the Type of Zeolite Phase Formed in ZSM‐43 Synthesis by Using Machine Learning6Rational Design and Targeted Synthesis of Small-Pore Zeolites with the Assistance of Molecular Modeling, Structural Analysis, and Synthetic Chemistry17Unveiling the elusive role of tetraethyl orthosilicate hydrolysis in ionic-liquid-templated zeolite synthesis9Controlling Nucleation Pathways in Zeolite Crystallization: Seeding Conceptual Methodologies for Advanced Materials Design156Crystallization of Potassium-Zeolites in Organic-Free Media33Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks6Optimal machine learning feature selection for assessing the mechanical properties of a zeolite framework13Machine Learning Analysis of Literature Data on the Water Gas Shift Reaction toward Extrapolative Prediction of Novel Catalysts25Ambient-Pressure Synthesis of Highly Crystallized Zeolite NaA4Machine Learning at the Interface of Polymer Science and Biology: How Far Can We Go?21Evaluation and application of machine learning principles to Zeolite LTA synthesis25Zeolite-based catalyst for direct conversion of CO2 to C2+ hydrocarbon: A review80Distilling seed-assisted zeolite synthesis conditions by machine learning9Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining18Synthesis of Zeolites from Fine-Grained Perlite and Their Application as Sorbents18Magnetic zeolite composites: Classification, synthesis routes, and technological applications66Synthesis strategies and design principles for nanosized and hierarchical zeolites131Biased Al distribution of high-silica FAU-type zeolite synthesized by fast manner at high temperature22Seed-directed syntheses of zeolites in a versatile borosilicate system with the presence of Octyltrimethylammonium Chloride1Machine Learning in the Development of Adsorbents for Clean Energy Application and Greenhouse Gas Capture46The positive energy of netizens: development and application of fine-grained sentiment lexicon and emotional intensity model11Identifying extra-large pore structures in zeolites with a machine learning approach and its deployment into production10Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances18Recent Advance of Machine Learning in Selecting New Materials7Transformation of aluminosilicate materials into high value zeolites0Co‐templating in the Designed Synthesis of Small‐pore Zeolite Catalysts2Data‐Driven Approach for Rational Synthesis of Zeolites and Other Nanoporous Materials2Generating, Managing, and Mining Big Data in Zeolite Simulations5Machine Learning and Digital Manufacturing Approaches for Solid‐State Materials Development5Investigation of the Acid/Basic Sites of Zeolite Trough Some Catalysed Nucleophilic Reactions3Zeolite-modified electrodes for electrochemical sensing of heavy metal ions – Progress and future directions33Machine learning-assisted crystal engineering of a zeolite58Machine Learning for Chemistry: Basics and Applications102Forecasting low framework density zeolites from synthesis descriptors using machine learning6Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials8Advances of machine learning in materials science: Ideas and techniques105Application of Artificial Intelligence in New Energy Materials1Empowering research in chemistry and materials science through intelligent algorithms15Advances and challenges in designing active site environments in zeolites for Brønsted acid catalysis18Organic Template-Free Non-Seeded Sono-Assisted Synthesis of Zeolite Y0Potential Energy Surface-Based Descriptors for Nanoporous Materials and its Applications to Classification and CO2 Gas Adsorption into Zeolites3Assessment of adsorptive separation performance of hypothetical pure silica zeolites by using a fast structural characterization and atomistic simulation predictions2Predicting the binding configuration and release potential of heavy metals on iron (oxyhydr)oxides: A machine learning study on EXAFS22Prediction of heavy-section ductile iron fracture toughness based on machine learning10ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-Learning Rationalization of Hydrothermal Parameters53The Current Understanding of Mechanistic Pathways in Zeolite Crystallization192Spherical Binderless 4A/5A Zeolite Assemblies: Synthesis, Characterization, and Adsorbent Applications4Deep Learning-Aided Research and the Aim-of-Science Controversy1Synthesis of CHA zeolite in phenoxide media for CO2 capture9Self-Driving Laboratories for Chemistry and Materials Science674Active learning assisted piezoelectric materials synthesis on the basis of composite decision-making10Analyzing dissemination, quality, and reliability of Chinese brain tumor-related short videos on TikTok and Bilibili: a cross-sectional study39Recent advances and new frontier of flexible pressure sensors: Structure engineering, performances and applications24Investigations on symbol regression for improving the prediction accuracy of gas-metal adsorption energies in machine learning7DLMM-DTI: Deep Learning-Based Mamba Model for Drug-Target Interaction Binary Classification Prediction1Recent Advances in Machine Learning‐Assisted Multiscale Design of Energy Materials188Accelerated synthesis of zeolite Y under ultrasound from transparent mother liquor solutions without organic templates or seed addition0Accelerated synthesis of zeolite Y under ultrasound from transparent mother liquor solutions without organic templates or seed addition0Computational insights on the role of structure-directing agents (SDAs) in the synthesis of zeolites22Integrating Enzymes with Reticular Frameworks To Govern Biocatalysis0Integrating Enzymes with Reticular Frameworks To Govern Biocatalysis35Interpretable Machine Learning Model for Predicting Postpartum Depression: Retrospective Study31AI-empowered digital design of zeolites: Progress, challenges, and perspectives15Molecular descriptor-assisted interpretable machine learning: A scheme for guiding the synthesis of zeolites with target structures7How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?9Knowledge-Informed Molecular Design for Zeolite Synthesis Using General-Purpose Pretrained Large Language Models Toward Human-Machine Collaboration13Zeolite–Water Chemistry: Characterization Methods to Unveil Zeolite Structure19Uncertainty-aware optimization of zeolite particle size: Utilizing quantile regression and SHAP analysis13Combined use of glass powder and residual anodized aluminum solid wastes as zeolites precursors by facile hydrothermal treatment2From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks6Machine Learning in nanoarchitectonics24Accelerating Zeolite Crystallization under High External Hydrostatic Pressure4Recent Advances in Sonochemistry for the Synthesis and Modification of FeY Zeolite Catalyst0Drawing boundaries between feasible and unfeasible zeolite intergrowths using high-throughput computational screening with synthesis validation11Ultrasound accelerates zeolite synthesis: Predictive modelling via machine learning3Evaluation of the role of alkaline and alkaline earth metal impurities in zeolite synthesis from waste glass powder and aluminum anodization sludge: synthesis and performance in endocrine disruptors adsorption0Lessons from Failed Attempts of Computationally Guided Synthesis of Aluminosilicate STF and IFR Zeolites in Hydroxide Media4Reticular Chemistry: A Versatile Platform for Engineering Heterogenous Biocatalysts8Low-Dimensional Zeotypes Templated by Stacked Cyclic Benzimidazolium Revealed by Electron Crystallography1Assessment of the Synthetic Feasibility of Hypothetical Zeolite-like Materials Based on ZeoNet0High-precision stress prediction using deep energy network enhanced by stress equilibrium with Delaunay integration on refined grid0Engineering Zeolite Synthesis for the Green Energy Transformation1Current Understandings and Future Opportunities Related to the Structure Direction in Zeolite Synthesis2Automated extraction of synthesis recipes from the literature using large language models: Application to zeolite ZSM-50Integrating Solution Physical Properties into Zeolite Synthesis Prediction via Causal Machine Learning0Conversion of Waste Red Mud into LTA Zeolite Adsorbent for Highly Selective Cs+/Sr2+ Removal: Governing Effects of Inorganic Acid Type and Hydrothermal Temperature on Zeolite Phase Evolution0Guided synthesis of EMT zeolites by machine learning1Machine learning-accelerated discovery and optimization of thermoelectric materials for energy conversion0

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  48. Distilling seed-assisted zeolite synthesis conditions by machine learning

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