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

collaborators
Showing 2021Show all

1 paper · 1 filter

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…