A machine learning model for nuclear Hessians based on GFN2-xTB-derived atomistic features
Zenodo (CERN European Organization for Nuclear Research)
Abstract
Raw computational data for the manuscript "A machine learning model for nuclear Hessians based on GFN2-xTB-derived atomistic features"https://doi.org/10.26434/chemrxiv.10001864/v1
Authors 3
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Gereon Feldmann Aachen
Affiliation as printed
RWTH Aachen University
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Pit Steinbach Aachen
Affiliation as printed
RWTH Aachen University
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Christoph Bannwarth Aachen
Affiliation as printed
RWTH Aachen University
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