Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy

Simple item page
dc.contributor.authorAgarwal, Sheena
dc.contributor.authorMehta, Shweta
dc.contributor.authorJoshi, Kavita
dc.date.accessioned2023-01-02T10:20:47Z
dc.date.available2026-02-19T08:53:42Z
dc.date.issued2023-01-02
dc.description.uriDOI: 10.1039/d0nj00633een
dc.format.extent9 p.en
dc.identifier.citationNew J. Chem., 2020, 44, 8545en
dc.identifier.urihttp://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/6186
dc.language.isoen_USen
dc.publisherRoyal Society of Chemistryen
dc.subjectArtificial Intelligenceen
dc.subjectQuantum Chemistryen
dc.subjectDensity Functional Theoryen
dc.titleUnderstanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energyen
dc.typeArticleen
local.division.divisionPhysical and Materials Chemistry Divisionen

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
2020_Understanding_the_ML_black_box_with_simple_descriptors_to_predict_cluster–adsorbate_interaction_energy.pdf
Size:
4.42 MB
Format:
Adobe Portable Document Format
Description:
Download

License bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

NCL Publications