John E. Pask

activity

20212024

most citedGPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

15 citations · 22 across the 6 of their papers we have counts for

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Showing 2023Show all

2 papers · 1 filter

physics.chem-ph2023★ 1 cited

Kohn-Sham accuracy from orbital-free density functional theory via $Δ$ -machine learning

Shashikant Kumar, Xin Jing, John E. Pask +2

We present a $Δ$ -machine learning model for obtaining Kohn-Sham accuracy from orbital-free density functional theory (DFT) calculations. In particular, we employ a machine learned…

physics.comp-ph2023★ 15 cited

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

Abhiraj Sharma, Alfredo Metere, Phanish Suryanarayana +3

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and…

Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learning

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

Kohn-Sham accuracy from orbital-free density functional theory via $Δ$ -machine learning