@misc{indiciae692a503f381a, title = {Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials}, author = {Fu, Cong [Texas A \& M Univ., College Station, TX (United States)] and Lin, Yuchao [Texas A \& M Univ., College Station, TX (United States)] and Krueger, Zachary [Texas A \& M Univ., College Station, TX (United States)] and Yu, Haiyang [Texas A \& M Univ., College Station, TX (United States)] and Nakata, Maho [Institute of Physical and Chemical Research (RIKEN), Tokyo (Japan)] and Xie, Jianwen [Lambda, Inc.] and Kucukbenli, Emine [NVIDIA Corporation, Santa Clara, CA (United States)] and Qian, Xiaofeng [Texas A \& M Univ., College Station, TX (United States). Texas A \& M Engineering Experiment Station] and Ji, Shuiwang [Texas A \& M Univ., College Station, TX (United States)]}, year = {2026}, doi = {10.2172/3377163}, url = {https://www.osti.gov/biblio/3377163}, note = {Source identifier: 3377163} }