Generalized convolutional many-body distribution functional representations

O. Anatole von Lilienfeld, Danish Khan

Submission Type: I want my submission to be considered for both oral and poster presentation.

Keywords: physics aware machine learning; chemical compound space; first principles;

TL;DR: I will discuss a novel representation of atoms in their environment that can be used as a feature for machine learning

Confirmation Of Submission Requirements: I submit a previously published paper. It was published in an archival peer–reviewed venue on or after September 1st 2025, I specify the DOI in the field below, and I submit the camera-ready version of the paper.

DOI: https://doi.org/10.1073/pnas.2415662122

Submission Number: 229