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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 Penfold
Thomas Penfold
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Funding
EPSRC
Leverhulme trust
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Categories
Computational chemistry
Keywords
X-ray spectroscopy
Deep Neural Networks
Transition metals
Computational Chemistry
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CC BY 4.0
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