An international team of scientists, including researchers from HSE University, has developed a new generative model called the Wyckoff Transformer (WyFormer) for creating symmetrical crystal structures. The neural network will make it possible to design materials with specified properties for use in semiconductors, solar panels, medical devices, and other high-tech applications. The scientists will present their work at ICML, a leading international conference on machine learning, on July 15 in Vancouver. A preprint of the paper is available on arxiv.org, with the code and data released under an open-source license.
