Machine Learning in Materials Discovery and Design for the Future

Explore the intersection of machine learning and materials science in this MICDE-Aerospace Engineering seminar featuring Dr. Jan Janssen from the Max Planck Institute for Sustainable Materials. Discover how the pyiron workflow framework revolutionizes materials design by combining ab-initio thermodynamics with large language models (LLMs). Learn about the challenges of traditional materials design and how computational approaches can efficiently screen the periodic table for new sustainable materials. Examine the capabilities and limitations of LLMs in materials science, including their potential to complement scientific thinking through the newly developed LangSim interface. Gain insights into predicting macroscopic material properties from electron interactions, understanding phase stability, and leveraging advanced simulation workflows for materials discovery. Benefit from Dr. Janssen's expertise as a materials informatics group leader and his extensive experience in open-source software development, including the pyiron package and contributions to the conda-forge community.