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 4 of their papers we have counts for

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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.chem-ph2021★ 6 cited

Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperature

Qimen Xu, Xin Jing, Boqin Zhang +2

Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute…

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

Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperature

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