Abhiraj Sharma

activity

20172026

most citedSQDFT: Spectral Quadrature method for large-scale parallel

O (N)

Kohn-Sham calculations at high temperature

66 citations · 227 across the 19 of their papers we have counts for

collaborators

Showing 2020Show all

2 papers · 1 filter

physics.comp-ph2020★ 15 cited

Real-space formulation of the stress tensor for $O (N)$ density functional theory: application to high temperature calculations

Abhiraj Sharma, Sebastien Hamel, Mandy Bethkenhagen +2

We present an accurate and efficient real-space formulation of the Hellmann-Feynman stress tensor for $O (N)$ Kohn-Sham density functional theory (DFT). While applicable a…

physics.comp-ph2020★ 5 cited

SPARC: Simulation Package for Ab-initio Real-space Calculations

Qimen Xu, Abhiraj Sharma, Benjamin Comer +5

We present SPARC: Simulation Package for Ab-initio Real-space Calculations. SPARC can perform Kohn-Sham density functional theory calculations for isolated systems such as molecule…

Real-space formulation of the stress tensor for O(N) density functional theory: application to high temperature calculations

SPARC: Simulation Package for Ab-initio Real-space Calculations

Real-space formulation of the stress tensor for $O (N)$ density functional theory: application to high temperature calculations