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Accurate, Affordable, and Generalisable Machine Learning Simulations of Transition Metal X-ray Absorption Spectra using the XANESNET Deep Neural Network

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posted on 2022-02-02, 10:51 authored by Thomas PenfoldThomas Penfold, Conor Rankine
Data Supporting the Publication of the same title.

Funding

EPSRC

Leverhulme trust

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    Newcastle University

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    Keywords

    X-ray spectroscopyDeep Neural NetworksTransition metalsComputational Chemistry

    Licence

    CC BY 4.0

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