pyscal: A python module for structural analysis of atomic environments. - Sarath Menon; Grisell Leines; Jutta Rogal (J. Open Source Softw., 2019)

Geometric Deep Learning for Molecular Crystal Structure Prediction. - Michael Kilgour; Jutta Rogal; Mark E. Tuckerman (CoRR, 2023)

Multi-Type Point Cloud Autoencoder: A Complete Equivariant Embedding for Molecule Conformation and Pose. - Michael Kilgour; Jutta Rogal; Mark E. Tuckerman (CoRR, 2024)

Efficient mapping of phase diagrams with conditional normalizing flows. - Maximilian Schebek; Michele Invernizzi; Frank Noé; Jutta Rogal (CoRR, 2024)