CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning. - Ulrik Friis-Jensen; Frederik L. Johansen; Andy S. Anker; Erik B. Dam; Kirsten M. Ø. Jensen; Raghavendra Selvan (KDD, 2024)

A GPU-Accelerated Open-Source Python Package for Calculating Powder Diffraction, Small-Angle-, and Total Scattering with the Debye Scattering Equation. - Frederik L. Johansen; Andy S. Anker; Ulrik Friis-Jensen; Erik B. Dam; Kirsten M. Ø. Jensen; Raghavendra Selvan (J. Open Source Softw., 2024)

deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models. - Frederik L. Johansen; Ulrik Friis-Jensen; Erik Bjørnager Dam; Kirsten M. Ø. Jensen; Rocío Mercado; Raghavendra Selvan (CoRR, 2025)