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Meeting MS&T22: Materials Science & Technology
Symposium AI for Big Data Problems in Advanced Imaging, Materials Modeling and Automated Synthesis
Presentation Title AI-enabled Platform for Autonomous Experimentation and Materials Discovery
Author(s) Henry Chan, Chengshi Wang, Jie Xu, Rohit Batra, Arun Baskaran, Maria Chan, Pierre T Darancet
On-Site Speaker (Planned) Henry Chan
Abstract Scope The discovery of new materials is at the core of many advancements in our society. Despite decades of materials research, inverse design of functional materials has remained a grand challenge, largely due to difficulties associated with the navigation of a vast search space and the mapping of complex relationships between materials structures, properties, and synthesis/processing conditions. Recently, the application of AI/ML techniques on robotics and high-throughput instruments in laboratories has led to the active development of various Materials Acceleration Platforms (MAP), aimed to revolutionize the traditional materials discovery approach. This talk highlights the development of Polybot, a MAP developed at the Center for Nanoscale Materials, and discusses its potential in addressing problems related to the reliability of experimental data, handling of heterogeneous data, and the coupling of experiments with AI/ML and simulations.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Feasibility Study of Machine Learning-assisted Alloy Design Using Wrought Aluminum Alloys as An Example
AI-enabled Platform for Autonomous Experimentation and Materials Discovery
Are Process-Structure-Property Relationships Useful for Materials Design?
A.I. Driven Sustainable Aluminum Alloy Design
B-1: Autonomous Closed Loop Synthesis of Gold Nanorods via a Modular Chemical-Handling Robotic Platform
B-2: Logistics Box Recognition in Robotic Industrial De-palletizing Procedure with Systematic RGB-D Image Processing Supported by Multiple Deep Learning Method
Data-driven Search for Promising Intercalating Ions and Layered Materials for Metal-ion Batteries
De Novo Inverse Design of Nanoporous Materials by Machine Learning
De Novo Molecular Drug Design Using Deep and Reinforcement Learning
Deep Learning-based Algorithms for X-ray Microtomography Analysis: Unravelling Challenges for 4D Experiments
Deep Learning Approaches for Accelerating Polymer Characterization
Deep Neural Networks for Laser Absorptivity Prediction from Synchrotron X-ray Images
Estimation of Sub-micron Carbide Sizes and Morphologies in Dual-Phase Steels from Light Optical Micrographs Using Generative Adversarial Networks
High-dimensional Neural Network Potential for Liquid Electrolyte Simulations: Applications to Li-ion Battery Materials
Machine Learning Enabled Stacking Fault Energy Prediction in Concentrated Alloys
Machine Learning for Accelerated Defect Dynamics in Materials
Machine Learning Guided Prediction of Rupture Time of 347H Stainless Steel
Multi-Fidelity Machine Learning for Perovskite Discovery
Multi-property Graph Networks for Novel Materials Discovery
Neural Network Prediction of Dynamical Electron Back-Scattered Diffraction Patterns Based on Kinematical Patterns
Phase Identification by Neural Networks Trained from Experimental and Theoretical Structure Data
Physics-informed Machine Learning for Selected Area Electron Diffraction Data Analysis
Rapid Metallic Alloy Development Leveraging Machine Learning
Real-time and Large FOV Ptychography through AI@Edge
Understanding Atomic-scale Mechanisms of Defect Dynamics in Rare Earth Nickelates by Machine Learning and Quantum Simulations

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