May 30, 2018

International Workshop on Machine Learning for Materials Science

Sponsored by CECAM and NOMAD, the International Workshop on Machine Learning for Materials Science brought together key scientific players to deepen understanding of materials science, computational physics, chemistry and machine learning at the Aalto Design Factory, Espoo, Finland, 03 – 04 May 2018. An active research community of student researchers and leaders in the field gathered for focused discussions over two days. Six invited speakers presented their recent work and perspectives on the development of the field.

Young researchers presented their recent advances in 12 contributed talks and 14 posters. Due to increased international interest since the 2017 event, the workshop talks were recorded and webcast. In additional to 50 local participants, up to 20 participants followed the workshop talks online and participated in discussion sessions. The presented research and discussions were in line with several key topics in the field. New schemes for machine-learning-based structure prediction were introduced, and there was much interest in machine-learning-assisted materials classification and discovery. On the other hand, some concrete application of ML methods were also discussed, such as machine-learning-based property predictions of steel, and the use of machine-learning-based force fields for study in amorphous solids. The emergence of more applications in this field testifies to its increasing maturity. The interesting contributions from the young researchers indicate the potential for new discoveries and leadership. Young researchers will lead new meetings of the machine learning community in events planned for 2019.

As an educational resource, a playlist of all videos of the lectures is available on YouTube.

Logan Ward (University of Chicago) presents “Machine learning for materials design” at the Aalto Design Factory during the International Workshop on Machine Learning for Materials Science.