Atomic cluster expansion of sp- and d-element systems. The atomic cluster expansion (ACE)  provides a generalisation of the lattice cluster expansion  to arbitrary degrees of freedom, including continuous variables. As the expansion is general, it is applicable to different materials and I will give examples for sp-valent semiconductors and d-valent transition metals, including magnetic iron. I will further discuss accuracy and computational expense of ACE and compare to other methods. The efficiency of ACE means that phase diagrams can be obtained and I will present automated workflows for phase diagram computation. Finally, I will show that ACE can be fitted without user interference, so that parameterisations for many different materials can be obtained quickly.
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