34 citations · 62 across the 11 of their papers we have counts for
Showing 2025Show all
2 papers · 1 filter
physics.chem-ph2025
Information encoding in spherical DFT
Sol Samuels, Chance M. Baxter, Susan R. Atlas
Spherical density functional theory (DFT) is a reformulation of the classic theorems of DFT, in which the role of the total density of a many-electron system is replaced by a set o…
cond-mat.mtrl-sci2025
Elastic tensor-derived properties of composition-dependent disordered refractory binary alloys using DFPT
Surya T. Bijjala, Susan R. Atlas, Pankaj Kumar
The elastic tensor provides valuable insight into the mechanical behavior of a material with lattice strain, such as disordered binary alloys. Traditional stress-strain methods hav…