DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. - Sambit Das; Phani Motamarri; Vishal Subramanian; David M. Rogers 001; Vikram Gavini (Comput. Phys. Commun., 2022)

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys. - Sambit Das; Bikash Kanungo; Vishal Subramanian; Gourab Panigrahi; Phani Motamarri; David M. Rogers 001; Paul M. Zimmerman; Vikram Gavini (SC, 2023)