27 citations · 37 across the 11 of their papers we have counts for
Showing 2019Show all
2 papers · 1 filter
math.NA2019
Atomic Cluster Expansion: Completeness, Efficiency and Stability
Genevieve Dusson, Markus Bachmayr, Gabor Csanyi +4
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation inv…
physics.comp-ph2019★ 27 cited
Regularised Atomic Body-Ordered Permutation-Invariant Polynomials for the Construction of Interatomic Potentials
Cas van der Oord, Geneviève Dusson, Gabor Csanyi +1
We investigate the use of invariant polynomials in the construction of data-driven interatomic potentials for material systems. The "atomic body-ordered permutation-invariant polyn…