Electronic Structure Prediction of Multi-million Atom Systems Through Uncertainty Quantification Enabled Transfer Learning

Fuente: arXiv
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Bibliographic Details
Main Authors: Pathrudkar, Shashank, Thiagarajan, Ponkrshnan, Agarwal, Shivang, Banerjee, Amartya S., Ghosh, Susanta
Format: Preprint
Published: 2023
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