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cs.LG2026
GLASS: Global Latent Aggregation with Slot-based Set Decoding for Scalable All-Atom Crystal Generation
Hendrik Kraß, Seyed Mohamad Moosavi, Mathias Niepert
Generative models for crystals enable the discovery of novel structures, but scaling all-atom generation to larger systems such as metal--organic frameworks remains challenging. We…
cond-mat.mtrl-sci2026
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…