Vector Field Oriented Diffusion Model for Crystal Material Generation

no code implementations • 20 Dec 2023 • Astrid Klipfel, Yaël Fregier, Adlane Sayede, Zied Bouraoui

Discovering crystal structures with specific chemical properties has become an increasingly important focus in material science.

Equivariant Message Passing Neural Network for Crystal Material Discovery

1 code implementation • 1 Feb 2023 • Astrid Klipfel, Olivier Peltre, Najwa Harrati, Yaël Fregier, Adlane Sayede, Zied Bouraoui

Automatic material discovery with desired properties is a fundamental challenge for material sciences.

Property Prediction