26 citations · 26 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2021
Spin-spin interactions in solids from mixed all-electron and pseudopotential calculations a path to screening materials for spin qubits
Krishnendu Ghosh, He Ma, Mykyta Onizhuk +2
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using…
physics.comp-ph2019
DFT-FE -- A massively parallel adaptive finite-element code for large-scale density functional theory calculations
Phani Motamarri, Sambit Das, Shiva Rudraraju +3
We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching electrons) using Kohn-Sham den…
cond-mat.mtrl-sci2019★ 26 cited
All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids
Krishnendu Ghosh, He Ma, Vikram Gavini +1
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first princip…