Phanish Suryanarayana

activity

20122026

most citedSPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems

140 citations · 1k across the 66 of their papers we have counts for

collaborators

Showing 2020 · physics.comp-phShow all

2 papers · 2 filters

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