50 citations · 118 across the 14 of their papers we have counts for
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invDFT: A CPU-GPU massively parallel tool to find exact exchange-correlation potentials from groundstate densities
Vishal Subramanian, Bikash Kanungo, Vikram Gavini
Density functional theory (DFT) remains the most widely used electronic structure method. Although exact in principle, in practice, it relies on approximations to the exchange-corr…
Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements
Nelson D. Rufus, Bikash Kanungo, Vikram Gavini
We present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham DFT calculations for solids using an enriched finite element…
Real-time time-dependent density functional theory using higher order finite element methods
Bikash Kanungo, Vikram Gavini
We present a computationally efficient approach to solve the time-dependent Kohn-Sham equations in real-time using higher-order finite-element spatial discretization, applicable to…
Large-scale all-electron density functional theory calculations using an enriched finite element basis
Bikash Kanungo, Vikram Gavini
We present a computationally efficient approach to perform large-scale all-electron density functional theory calculations by enriching the classical finite element basis with comp…