activity
20222026
most citedDFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

73 citations · 73 across the 3 of their papers we have counts for

collaborators
Showing physics.comp-phShow all

2 papers · 1 filter

physics.comp-ph2025

invDFT: A CPU-GPU massively parallel tool to find exact exchange-correlation potentials from groundstate densities

Vishal Subramanian, Bikash Kanungo, Vikram Gavini

Density functional theory (DFT) remains the most widely used electronic structure method. Although exact in principle, in practice, it relies on approximations to the exchange-corr…

physics.comp-ph2022★ 73 cited

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

Sambit Das, Phani Motamarri, Vishal Subramanian +2

We present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (rea…