International collaboration lays the foundation for future AI for materials

On the supercomputers at the National Supercomputer Center at Linköping University, researchers simulate how atoms in different materials behave. Data from such simulations is made available worldwide via the OPTIMADE standard to train future AI models for materials research. From left: Oskar Andersson, doctoral student, and Rickard Armiento, associate professor. Artificial intelligence (AI) is accelerating the development of new materials. A prerequisite for AI in materials research is large-scale use and exchange of data on materials, which is facilitated by a broad international standard.