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20232026
most citedA Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion

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physics.comp-ph2023

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

William C. Witt, Cas van der Oord, Elena Gelžinytė +10

We introduce ACEpotentials.jl, a Julia-language software package that constructs interatomic potentials from quantum mechanical reference data using the Atomic Cluster Expansion (D…

physics.comp-ph2023★ 1 cited

A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion

Dexuan Zhou, Huajie Chen, Cheuk Hin Ho +1

The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficient and intepretable parameterisation of symmetric polynomials that has achieved great success in modelling…