Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials. - Cong Fu 003; Yuchao Lin; Zachary Krueger; Haiyang Yu 005; Maho Nakata; Jianwen Xie; Emine Küçükbenli; Xiaofeng Qian; Shuiwang Ji (CoRR, 2025)

Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations. - Yuchao Lin; Cong Fu 003; Zachary Krueger; Haiyang Yu 005; Maho Nakata; Jianwen Xie; Emine Küçükbenli; Xiaofeng Qian; Shuiwang Ji (CoRR, 2025)