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Nakata, Maho
2 publications
TMLR
2026
Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials
Cong Fu
,
Yuchao Lin
,
Zachary Krueger
,
Haiyang Yu
,
Maho Nakata
,
Jianwen Xie
,
Emine Kucukbenli
,
Xiaofeng Qian
,
Shuiwang Ji
NeurIPS
2025
Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations
Yuchao Lin
,
Cong Fu
,
Zachary Krueger
,
Haiyang Yu
,
Maho Nakata
,
Jianwen Xie
,
Emine Kucukbenli
,
Xiaofeng Qian
,
Shuiwang Ji