24-28 April 2023, Daresbury Laboratory
The Atomic Simulation Environment (ASE) is a community-driven Python package that solves the “n^2 problem” of code interfaces by providing some standard data structures and interfaces to ~100 file formats, acting as useful “glue” for work with multiple packages. ASE integrates with more than 30 atomistic codes, covering methods from classical MD, machine learning interatomic potential to ab-initio codes. The workshop will be held over five days, consisting of two full days of scientific presentations followed by parallel tutorials and code-sprint activities.
Additional details can be found here