The SAI-Mat group, in association with Keith Butler at the University College London, successfully organized a two day workshop on ‘AI/ML for Materials’ at the Department of Materials Engineering, Indian Institute of Science. Spread over January 7 and 8, 2025, the workshop was attended by over 35 attendees (who were selected from over 220 applicants) from various academic institutions and industries across India. The workshop was completely free for all participants, including food during the event, with generous sponsorship from The Royal Society and the UK Research and Innovation.

The workshop covered topics ranging from the basics of machine learning, relevance of graph-based neural networks in materials, the construction of machine learned interatomic potentials, and a few advanced topics (including transfer learning, diffusion and language models for materials). Besides lectures covering theory, the workshop also involved extensive hands-on sessions where participants could execute code-blocks by themselves and reduce the barrier for actual usage of such models in their work.

All the lectures and notebooks used in the workshop are available free-for-all at here and here, respectively. Video recordings of all lectures and hands-on sessions can be found corresponding to each session title at this page.