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Natascia L. Fragapane
DPhil Student,
University of Oxford
Verified email at chem.ox.ac.uk
machine learning
computational chemistry
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An automated framework for exploring and learning potential-energy surfaces
Y Liu, JD Morrow, C Ertural, NL Fragapane, JLA Gardner, AA Naik, ...
arXiv preprint arXiv:2412.16736
, 2024
2024
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