J. Nistane, R. Ramprasad
Matmerize, Inc,
United States
Keywords: polymer informatics
Summary:
Informatics-driven approaches are becoming an integral part of polymer and formulations discovery and design. In many applications, the integration of computational methods, experiments, and informatics has enabled the efficient development of new materials. This contribution will describe efforts in data generation, capture, and management; polymer fingerprinting; machine learning models for property prediction; and algorithms for designing polymers and formulations that meet targeted property requirements. Strategies to extend such informatics approaches to diverse technological domains will be discussed. Topics include addressing data limitations, representing complex formulations and processing conditions, and leveraging recent advances in information fusion, physics-guided models, language models, and generative algorithms to accelerate the development of advanced materials.