6 citations · 14 across the 9 of their papers we have counts for
5 papers · 1 filter
GPU acceleration of hybrid functional calculations in the SPARC electronic structure code
Xin Jing, Abhiraj Sharma, John E. Pask +1
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional the…
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…
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…
Accuracy of Kohn-Sham density functional theory for warm- and hot-dense matter equation of state
Phanish Suryanarayana, Arpit Bhardwaj, Xin Jing +2
We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accur…
Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations
Boqin Zhang, Xin Jing, Qimen Xu +8
SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn-Sham density functional theory calculations. Version 2.0.0 of the s…