A Benchmark for Quantum Chemistry Relaxations via Machine Learning Interatomic Potentials
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arXiv
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| Main Authors: | Fu, Cong, Lin, Yuchao, Krueger, Zachary, Yu, Wendi, Qian, Xiaoning, Yoon, Byung-Jun, Arróyave, Raymundo, Qian, Xiaofeng, Maeda, Toshiyuki, Nakata, Maho, Ji, Shuiwang |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Online Access: | |
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