Equivariant message passing neural network for crystal material discovery

This article is about how to construct an equivariant action on the lattice of a crystal (periodic material). It also discusses the $$\text{SL}_3(\mathbb{Z})$$ group action on crystals.

Commutative diagram of $$\text{SL}_2(\mathbb{Z})$$ and $$\text{E}(2)$$

How to cite

@article{klipfel_empnn_aaai_2023,
    title={Equivariant Message Passing Neural Network for Crystal Material Discovery},
    volume={37},
    url={https://ojs.aaai.org/index.php/AAAI/article/view/26673},
    DOI={10.1609/aaai.v37i12.26673},
    number={12},
    journal={Proceedings of the AAAI Conference on Artificial Intelligence},
    author={Klipfel, Astrid and Bouraoui, Zied and Peltre, Olivier and Fregier, Yaël and Harrati, Najwa and Sayede, Adlane},
    year={2023},
    month={Jun.},
    pages={14304-14311}
}