Leveraging language representation for materials exploration and discovery

Abstract Data-driven approaches to materials exploration and discovery are building momentum due to emerging advances in machine learning. However, parsimonious representations of crystals for navigating the vast materials search space remain limited. To address this limitation, we introduce a mater...

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Bibliographic Details
Main Authors: Jiaxing Qu, Yuxuan Richard Xie, Kamil M. Ciesielski, Claire E. Porter, Eric S. Toberer, Elif Ertekin
Format: Article
Language:English
Published: Nature Portfolio 2024-03-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01231-8