activity
20192025
most citedOn preconditioning the self-consistent field iteration in real-space Density Functional Theory

20 citations · 33 across the 14 of their papers we have counts for

collaborators
Showing 2022Show all

2 papers · 1 filter

cond-mat.mtrl-sci2022

Version 2.0.0 -- M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

Boqin Zhang, Xin Jing, Shashikant Kumar +1

M-SPARC is a Matlab code for performing ab initio Kohn-Sham Density Functional Theory simulations. Version 2.0.0 of the software further extends its capability to include relativis…

cond-mat.mtrl-sci2022★ 11 cited

On the bending of rectangular atomic monolayers along different directions: an ab initio study

Shashikant Kumar, Phanish Suryanarayana

We study the bending of rectangular atomic monolayers along different directions from first principles. Specifically, choosing the phosphorene, GeS, TiS, and AsS monola…