Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-scale Simulations
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arXiv
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| Main Authors: | Matsumura, Naoki, Yoshimoto, Yuta, Yamazaki, Tamio, Amano, Tomohito, Noda, Tomoyuki, Ebata, Naoki, Kasano, Takatoshi, Sakai, Yasufumi |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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