Making Room for AI: Multi-GPU Molecular Dynamics with Deep Potentials in GROMACS
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arXiv
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| Main Authors: | Pennati, Luca, Hu, Andong, Peng, Ivy, Müllender, Lukas, Markidis, Stefano |
|---|---|
| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | |
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