Direct prediction of inelastic neutron scattering spectra from the crystal structure. - Yongqiang Cheng 006; Geoffrey Wu; Daniel M. Pajerowski; Matthew B. Stone; Andrei T. Savici; Mingda Li; Anibal Ramirez-Cuesta (Mach. Learn. Sci. Technol., 2023)

Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates. - Ryotaro Okabe; Mouyang Cheng; Abhijatmedhi Chotrattanapituk; Nguyen Tuan Hung; Xiang Fu 005; Bowen Han; Yao Wang 017; Weiwei Xie; Robert J. Cava; Tommi S. Jaakkola; Yongqiang Cheng 006; Mingda Li (CoRR, 2024)

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design. - Bowen Han; Andrei T. Savici; Mingda Li; Yongqiang Cheng 006 (Comput. Phys. Commun., 2024)

Virtual node graph neural network for full phonon prediction. - Ryotaro Okabe; Abhijatmedhi Chotrattanapituk; Artittaya Boonkird; Nina Andrejevic; Xiang Fu 005; Tommi S. Jaakkola; Qichen Song; Thanh Nguyen; Nathan C. Drucker; Sai Mu; Yao Wang 017; Bolin Liao; et al. (Nat. Comput. Sci., 2024)

A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra. - Mouyang Cheng; Chu-Liang Fu; Bowen Yu; Eunbi Rha; Abhijatmedhi Chotrattanapituk; Douglas L. Abernathy; Yongqiang Cheng 006; Mingda Li (CoRR, 2025)

Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling. - Mouyang Cheng; Weiliang Luo; Hao Tang; Bowen Yu; Yongqiang Cheng 006; Weiwei Xie; Ju Li; Heather J. Kulik; Mingda Li (CoRR, 2025)