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20212025
most citedReal-space density kernel method for Kohn-Sham density functional theory calculations at high temperature

6 citations · 14 across the 9 of their papers we have counts for

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Showing 2024 · physics.comp-phShow all

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physics.comp-ph2024

Efficient real space formalism for hybrid density functionals

Xin Jing, Phanish Suryanarayana

We present an efficient real space formalism for hybrid exchange-correlation functionals in generalized Kohn-Sham density functional theory (DFT). In particular, we develop an effi…

physics.comp-ph2024

On-the-fly machine learned force fields for the study of warm dense matter: application to diffusion and viscosity of CH

Shashikant Kumar, Xin Jing, John E. Pask +1

We develop a framework for on-the-fly machine learned force field (MLFF) molecular dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF scheme bas…