Frederik Lizak Johansen

deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models

Frederik Lizak Johansen, Ulrik Friis-Jensen, Erik Bjørnager Dam, Kirsten Marie Ørnsbjerg Jensen, Rocío Mercado, Raghavendra Selvan

Transactions on Machine Learning Research (TMLR), 2026

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Tackling Real-World Crystal Structure Prediction from Powder X-ray Diffraction Data

Frederik Lizak Johansen, Adam F Sapnik, Erik Bjørnager Dam, Raghavendra Selvan, Kirsten M Ø Jensen

Arxiv, 2026

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A GPU-Accelerated Open-Source Python Package for Calculating Powder Diffraction, Small-Angle-, and Total Scattering with the Debye Scattering Equation

Frederik Lizak Johansen, Andy Sode Anker, Ulrik Friis-Jensen, Erik Bjørnager Dam, Kirsten Marie Ørnsbjerg Jensen, Raghavendra Selvan

Journal of Open Source Software (JOSS), 2024

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CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

Ulrik Friis-Jensen, Frederik Lizak Johansen, Andy Sode Anker, Erik Bjørnager Dam, Kirsten Marie Ørnsbjerg Jensen, Raghavendra Selvan

ACM International Conference on Knowledge Discovery and Data Mining (ACM KDD), 2024

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