This webinar, presented by Elliott Kasoar and Dr Alin-Marin Elena, explores recent advances in machine learnt interatomic potentials (MLIPs) that revolutionize atomistic simulations with ab initio accuracy and expanded scales, while introducing software frameworks such as janus-core, aiida-mlip, and ML-PEG for data generation, benchmarking, training, and workflow integration within the PSDI ecosystem.

This webinar, presented by Samuel Munday, shows how computer vision and domain-specific AI unlock chemical “dark data,” transforming static literature, patents, and notebooks into interoperable, AI-ready research assets.