87 citations · 88 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 1 cited
Towards chemical accuracy for chemi- and physisorption with an efficient density functional
Manish Kothakonda, Ruiqi Zhang, Jinliang Ning +4
Understanding molecular adsorption on surfaces underpins many problems in chemistry and materials science. Accurately and efficiently describing the adsorption has been a challengi…
cond-mat.mtrl-sci2024
Effect of Strain on the Band Gap of Monolayer MoS
Raj K. Sah, Hong Tang, Chandra Shahi +2
Monolayer molybdenum disulfide () under strain has many interesting properties and possible applications in technology. A recent experimental study examined the eff…
cond-mat.mtrl-sci2020★ 87 cited
Accurate and numerically efficient rSCAN meta-generalized gradient approximation
James W. Furness, Aaron D. Kaplan, Jinliang Ning +2
The recently proposed rSCAN functional [J. Chem. Phys. 150, 161101 (2019)] is a regularized form of the SCAN functional [Phys. Rev. Lett. 115, 036402 (2015)] that improves SCAN's n…