CITATION.cff

abstract: <p>metatensor-torch workflows for training descriptor-based 
    equivariant neural networks to predict at DFT accuracy: 1) real-space 
    electronic density scalar fields decomposed on a basis and 2) global 
    electronic density of states.</p>
authors:
- affiliation: Lab COSMO, EPFL
  family-names: Abbott
  given-names: Joseph W.
  orcid: 0000-0002-0502-6790
- affiliation: Lab COSMO, EPFL
  family-names: How
  given-names: Wei Bin
  orcid: 0000-0002-1060-5885
- affiliation: Lab COSMO, EPFL
  family-names: Fraux
  given-names: Guillaume
- affiliation: Lab COSMO, EPFL
  family-names: Ceriotti
  given-names: Michele
  orcid: 0000-0003-2571-2832
cff-version: 1.2.0
date-released: '2024-10-04'
doi: 10.5281/zenodo.13891848
license:
- cc-by-4.0
repository-code: https://github.com/lab-cosmo/rholearn/tree/v0.1.0
title: 'lab-cosmo/rholearn: rholearn v0.1.0'
type: software
version: v0.1.0