20 citations · 20 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2020
Bending moduli for thirty-two select atomic monolayers from first principles
Shashikant Kumar, Phanish Suryanarayana
We calculate bending moduli along the principal directions for thirty-two select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering repres…
physics.comp-ph2019★ 20 cited
On preconditioning the self-consistent field iteration in real-space Density Functional Theory
Shashikant Kumar, Qimen Xu, Phanish Suryanarayana
We present a real-space formulation for isotropic Fourier-space preconditioners used to accelerate the self-consistent field iteration in Density Functional Theory calculations. Sp…