32 citations · 116 across the 14 of their papers we have counts for
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cs.LG2026
ED-CSP: Crystal Structure Prediction from Electron Diffraction
Germain Poloudenny, Arnaud Demortière, Yaël Frégier
Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem. Existing ED-based learning met…
cs.LG2023★ 3 cited
Equivariant Message Passing Neural Network for Crystal Material Discovery
Astrid Klipfel, Olivier Peltre, Najwa Harrati +3
Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal…