SI2-SSI Collaborative Research: A Computational Materials Data and Design Environment

This poster describes results associated with a project for the National Science Foundation, grant # 1148011. It was prepared for a PIs meeting on 2018-04-30. The primary results are •The Materials Simulation Toolkit (MAST) for high-throughput defect and diffusion modeling •A Machine Learning extension (MAST-ML) to rapidly generate machine learning models from materials data. •Online defect and diffusion analysis apps on MaterialsHub. •The world’s largest computed and machine learning enhanced diffusion database with easy online search. •Valuable research results using these tools and data, e.g. new fuel cell materials. •Workforce training through the Informatics Skunkworks, an undergraduate materials informatics group.