Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networks. - Nghia Nguyen; Steph-Yves M. Louis; Lai Wei 008; Kamal Choudhary; Ming Hu; Jianjun Hu (CoRR, 2021)

Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials. - Lai Wei 008; Qinyang Li; Yuqi Song; Stanislav Stefanov; Edirisuriya M. Dilanga Siriwardane; Fanglin Chen; Jianjun Hu (CoRR, 2022)

Materials Transformers Language Models for Generative Materials Design: a benchmark study. - Nihang Fu; Lai Wei 008; Yuqi Song; Qinyang Li; Rui Xin; Sadman Sadeed Omee; Rongzhi Dong; Edirisuriya M. Dilanga Siriwardane; Jianjun Hu (CoRR, 2022)

Scalable deeper graph neural networks for high-performance materials property prediction. - Sadman Sadeed Omee; Steph-Yves M. Louis; Nihang Fu; Lai Wei 008; Sourin Dey; Rongzhi Dong; Qinyang Li; Jianjun Hu (Patterns, 2022)

Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm. - Sadman Sadeed Omee; Lai Wei 008; Jianjun Hu (CoRR, 2023)

Material transformers: deep learning language models for generative materials design. - Nihang Fu; Lai Wei 008; Yuqi Song; Qinyang Li; Rui Xin; Sadman Sadeed Omee; Rongzhi Dong; Edirisuriya M. Dilanga Siriwardane; Jianjun Hu (Mach. Learn. Sci. Technol., 2023)

Global Mapping of Structures and Properties of Crystal Materials. - Qinyang Li; Rongzhi Dong; Nihang Fu; Sadman Sadeed Omee; Lai Wei 008; Jianjun Hu (J. Chem. Inf. Model., 2023)

Probabilistic generative transformer language models for generative design of molecules. - Lai Wei 008; Nihang Fu; Yuqi Song; Qian Wang; Jianjun Hu (J. Cheminformatics, 2023)

AlphaCrystal-II: Distance matrix based crystal structure prediction using deep learning. - Yuqi Song; Rongzhi Dong; Lai Wei 008; Qin Li; Jianjun Hu (CoRR, 2024)

Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control. - Sadman Sadeed Omee; Lai Wei 008; Sourin Dey; Jianjun Hu (CoRR, 2025)