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)

Fast hardware-aware matrix-free algorithms for higher-order finite-element discretized matrix multivector products on distributed systems. - Gourab Panigrahi; Nikhil Kodali; Debashis Panda; Phani Motamarri (J. Parallel Distributed Comput., 2024)