On the Atomic Cluster Expansion: interatomic potentials and beyond
Commentary byChristoph Ortner
Department of Mathematics, University of British Columbia, Canada
on
R. Drautz, “Atomic cluster expansion for accurate and transferable interatomic potentials”, Phys. Rev. B, 99:014104 (2019)
Statement of Significance
The Atomic Cluster Expansion (ACE) provides a systematically improvable, universal descriptor for the environment of an atom that is invariant to permutation, translation and rotation. ACE is being used extensively in newly emerging interatomic potentials based on machine learning. This commentary discusses the ACE framework and its potential impact.
Commentary
Discussion Thread
How to cite
Cite the commentary as:
C. Ortner, "On the Atomic Cluster Expansion: interatomic potentials and beyond", PRB, 99:014104 (2019),
KIM REVIEW, Volume 1, Article 01, 2023. DOI: 10.25950/c7f24234
KIM REVIEW is a
KIM Initiative project