4 citations · 7 across the 3 of their papers we have counts for
4 papers
Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?
Mathialakan Thavappiragasam, Wael Elwasif, Ada Sedova
High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has p…
VFSIE -- Development and Testing Framework for Federated Science Instruments
Anees Al-Najjar, Nageswara S. V. Rao, Neena Imam +9
Recent developments in softwarization of networked infrastructures combined with containerization of computing workflows promise unprecedented compute anywhere and everywhere capab…
Characterizing the Performance of Executing Many-tasks on Summit
Matteo Turilli, Andre Merzky, Thomas Naughton +2
Many scientific workloads are comprised of many tasks, where each task is an independent simulation or analysis of data. The execution of millions of tasks on heterogeneous HPC pla…
Targeting Multiple States in the Density Matrix Renormalization Group with The Singular Value Decomposition
E. F. D'Azevedo, W. R. Elwasif, N. D. Patel +1
In the Density Matrix Renormalization Group (DMRG), multiple states must be included in the density matrix when properties beyond ground state are needed, including temperature dep…