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cond-mat.mtrl-sci2022★ 3 cited
Materials Transformers Language Models for Generative Materials Design: a benchmark study
Nihang Fu, Lai Wei, Yuqi Song +6
Pre-trained transformer language models on large unlabeled corpus have produced state-of-the-art results in natural language processing, organic molecule design, and protein sequen…
cond-mat.mtrl-sci2022★ 7 cited
Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials
Lai Wei, Qinyang Li, Yuqi Song +4
Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic…
cond-mat.mtrl-sci2022
DeepXRD, a Deep Learning Model for Predicting of XRD spectrum from Materials Composition
Rongzhi Dong, Yong Zhao, Yuqi Song +6
One of the long-standing problems in materials science is how to predict a material's structure and then its properties given only its composition. Experimental characterization of…