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Meeting MS&T24: Materials Science & Technology
Symposium Frontiers of Machine Learning on Materials Discovery
Presentation Title Autonomous Materials Synthesis System for Inorganic Thin Films Utilizing AI and Robotics
Author(s) Ryota Shimizu
On-Site Speaker (Planned) Ryota Shimizu
Abstract Scope The landscape of materials exploration is rapidly expanding to meet the social demand for functional materials. Autonomous materials research, using AI-based decision-making with automated synthesis and measurements carried out by robots, presents a promising avenue. Recently, significant progress has been made in the development of solid-state systems, alongside conventional liquid systems where materials are more easily handled. Here, we present our recent research on the autonomous synthesis of functional inorganic oxide thin films. Through iterative operations of automated thin film deposition (utilizing robots), measurement of electronic/ionic conductivity (also performed by robots), and the application of Bayesian optimization (AI) for decision-making, we achieved approximately a tenfold increase in throughput. Additionally, I will discuss future perspectives regarding the combination of combinatorial film deposition technology and a materials exploration system integrated with various measurement instruments.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Hierarchical Machine Learning Scheme to Identify Promising New Scintillators
abICS Framework for ab initio Statistical Thermodynamics of Complex Oxides Accelerated by Machine Learning
Accelerating Defect Predictions in Semiconductors Using Crystal Graphs
Accelerating Electron Microscopy and Experimentation through Acceptance of ML/AI
Autonomous Materials Synthesis System for Inorganic Thin Films Utilizing AI and Robotics
Bayesian optimization of CG topologies: Applications to common polymers
Data-Driven Accelerated Discovery of Novel Battery Materials
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Exploring New Frontiers in Inverse Materials Design through Graph Neural Networks and Large Language Models
Inverse Design of Quantum Materials by High-Throughput Calculations and Optimization Techniques
Machine-Learning-Aided Discovery of Metal-Organic Frameworks for Water Harvesting
Machine Learning in Chemistry: Reactive Force Fields and Beyond
Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility
MAXIMA: A High-Throughput Instrument for XRD and XRF Characterization of Materials
Physics-Aware Recurrent Convolutional Neural Networks for Modeling Hotspot Formation and Growth in Energetic Materials
Physics-Informed Machine Learning of Thermodynamic Properties
Physics-Infused Causal and Hypothesis-Driven AI for Advanced Functional Materials
Reinforcement Learning for Materials Science: Algorithms, Challenges and Applications to Improve Understanding of System Dynamics
Role of Domain Knowledge Injection in Data-Driven Methods Towards Accelerating Material Discovery
The Space of Phase Diagrams: Visualization Strategies for Advanced Materials
Towards Automatic Alloy Design via Large Language Model Powered Multi-Agent Collaborations
Using UNET Architecture for Microstructural Image Analysis in Hypoeutectoid Steel
Variable Selection for Small-Scale Chemical Experimental Data Based on Bayesian Inference

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