About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
AI/Data Informatics: Computational Model Development, Validation, and Uncertainty Quantification
|
Presentation Title |
How to Lead R&D Digital Transformation in a Chemical Corporation |
Author(s) |
Yoshishige Okuno, Shimpei Takemoto |
On-Site Speaker (Planned) |
Yoshishige Okuno |
Abstract Scope |
We demonstrate how we lead R&D Digital Transformation at Showa Denko, a Japanese chemical corporation. Successful data-driven R&D requires the establishment of processes for data collection, storage, analysis, and decision-making and an IT infrastructure to support these processes. Improving material developers' data literacy and enabling analytical decision-making is also important.
We have established data pipelines to collect experimental data from electronic lab notebooks. The collected data is automatically transformed into structured data and stored in a relational database. Machine learning models for predicting material properties are automatically generated based on the database and deployed to a web application system. Material developers can effortlessly search, visualize, and analyze data on GUI. Machine learning model predictions are used for the forward and inverse design of novel materials. MLOps for efficiently managing the machine learning models and the web application system have also been introduced. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Magnetic Materials, Modeling and Simulation |