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We introduce ACEpotentials.jl, a Julia-language software package thatconstructs interatomic potentials from quantum mechanical reference data usingthe Atomic Cluster Expansion (Drautz, 2019). As the latter provides a completedescription of atomic environments, including invariance to overall translationand rotation as well as permutation of like atoms, the resulting potentials aresystematically improvable and data efficient. Furthermore, the descriptor'sexpressiveness enables use of a linear model, facilitating rapid evaluation andstraightforward application of Bayesian techniques for active learning. Wesummarize the capabilities of ACEpotentials.jl and demonstrate its strengths(simplicity, interpretability, robustness, performance) on a selection ofprototypical atomistic modelling workflows.

ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion