Scalable foundation interatomic potentials via message-passing pruning and graph partitioning
Abstract Atomistic foundation models (AFMs) have great promise as accurate interatomic potentials, and have enabled data-efficient molecular dynamics simulations with near quantum mechanical accuracy. However, AFMs remain markedly slower at inference and are far more memory-intensive than convention...
সংরক্ষণ করুন:
| প্রধান লেখক: | , , , |
|---|---|
| বিন্যাস: | Artigo |
| ভাষা: | Inglês |
| প্রকাশিত: |
Nature Portfolio
2026-03-01
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| মালা: | npj Computational Materials |
| অনলাইন ব্যবহার করুন: | https://doi.org/10.1038/s41524-026-02001-4 |
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