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

Agarwal, Sheena; Mehta, Shweta; Joshi, Kavita

dc.contributor.author	Agarwal, Sheena
dc.contributor.author	Mehta, Shweta
dc.contributor.author	Joshi, Kavita
dc.date.accessioned	2023-01-02T10:20:47Z
dc.date.available	2026-02-19T08:53:42Z
dc.date.issued	2023-01-02
dc.identifier.citation	New J. Chem., 2020, 44, 8545	en
dc.identifier.uri	http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/6186
dc.description.uri	DOI: 10.1039/d0nj00633e	en
dc.format.extent	9 p.	en
dc.language.iso	en_US	en
dc.publisher	Royal Society of Chemistry	en
dc.subject	Artificial Intelligence	en
dc.subject	Quantum Chemistry	en
dc.subject	Density Functional Theory	en
dc.title	Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy	en
dc.type	Article	en
local.division.division	Physical and Materials Chemistry Division	en