2 papers
cs.LG2026
Fourier Transformers for Latent Crystallographic Diffusion and Generative Modeling
Jed A. Duersch, Elohan Veillon, Astrid Klipfel +2
The discovery of new crystalline materials calls for generative models that handle periodic boundary conditions, crystallographic symmetries, and physical constraints, while scalin…
cond-mat.mtrl-sci2025
A Chemically Grounded Evaluation Framework for Generative Models in Materials Discovery
Elohan Veillon, Astrid Klipfel, Adlane Sayede +1
Generative models hold great promise for accelerating materials discovery, but their evaluation often overlooks the chemical validity and stability requirements crucial to real-wor…