157 citations · 277 across the 13 of their papers we have counts for
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physics.chem-ph2022★ 8 cited
Graph-based Quantum Response Theory and Shadow Born-Oppenheimer Molecular Dynamics
Christian F. A. Negre, Michael E. Wall, Anders M. N. Niklasson
Graph-based linear scaling electronic structure theory for quantum-mechanical molecular dynamics simulations is adapted to the most recent shadow potential formulations of extended…
cs.DC2022★ 1 cited
Accelerating X-Ray Tracing for Exascale Systems using Kokkos
Felix Wittwer, Nicholas K. Sauter, Derek Mendez +7
The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD an…