Electronic Structure Prediction of Multi-million Atom Systems Through Uncertainty Quantification Enabled Transfer Learning
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arXiv
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| Main Authors: | Pathrudkar, Shashank, Thiagarajan, Ponkrshnan, Agarwal, Shivang, Banerjee, Amartya S., Ghosh, Susanta |
|---|---|
| Format: | Preprint |
| Published: |
2023
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| Subjects: | |
| Online Access: | |
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