Cover Feature: Self‐Consistent Convolutional Density Functional Approximations: Application to Adsorption at Metal Surfaces (ChemPhysChem 10/2024)

The Cover Feature shows the general equation derived for the potential of energy functionals based on convolutional inputs and illustrates the application of a convolutional “multipole” feature to CO adsorption on a Pt surface, where different colors indicate the ability to distinguish bulk and inte...

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Veröffentlicht in:Chemphyschem 2024-05, Vol.25 (10), p.n/a
Hauptverfasser: Sahoo, Sushree Jagriti, Xu, Qimen, Lei, Xiangyun, Staros, Daniel, Iyer, Gopal R., Rubenstein, Brenda, Suryanarayana, Phanish, Medford, Andrew J.
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Sprache:eng
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Zusammenfassung:The Cover Feature shows the general equation derived for the potential of energy functionals based on convolutional inputs and illustrates the application of a convolutional “multipole” feature to CO adsorption on a Pt surface, where different colors indicate the ability to distinguish bulk and interfacial regions. More information can be found in the Research Article by Andrew J. Medford and co‐workers.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202400462