22 citations · 23 across the 2 of their papers we have counts for
2 papers
stat.ML2022★ 1 cited
Unified theory of atom-centered representations and message-passing machine-learning schemes
Jigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux +1
Data-driven schemes that associate molecular and crystal structures with their microscopic properties share the need for a concise, effective description of the arrangement of thei…
stat.ML2021★ 22 cited
Optimal radial basis for density-based atomic representations
Alexander Goscinski, Félix Musil, Sergey Pozdnyakov +1
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates in…