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 2017Show all

3 papers · 1 filter

physics.comp-ph2017

Two-level Chebyshev filter based complementary subspace method: pushing the envelope of large-scale electronic structure calculations

Amartya S. Banerjee, Lin Lin, Phanish Suryanarayana +2

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (> 1000 electrons), applicable to metals and insulators alike. In…

physics.comp-ph2017★ 66 cited

SQDFT: Spectral Quadrature method for large-scale parallel $O (N)$ Kohn-Sham calculations at high temperature

Phanish Suryanarayana, Phanisri P. Pratapa, Abhiraj Sharma +1

We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method for $O (N)$ Kohn-Sham Density Functional Theory (DFT) calculations at high t…

cond-mat.mtrl-sci2017★ 25 cited

On nearsightedness in metallic systems for $O (N)$ Density Functional Theory calculations: A case study on Aluminum

Phanish Suryanarayana

We investigate the locality of electronic interactions in aluminum as a function of smearing/electronic temperature in the context of $O (N)$ Density Functional Theory cal…

Two-level Chebyshev filter based complementary subspace method: pushing the envelope of large-scale electronic structure calculations

SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature

On nearsightedness in metallic systems for O(N) Density Functional Theory calculations: A case study on Aluminum

SQDFT: Spectral Quadrature method for large-scale parallel $O (N)$ Kohn-Sham calculations at high temperature

On nearsightedness in metallic systems for $O (N)$ Density Functional Theory calculations: A case study on Aluminum