TY  - RPRT
TI  - Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning
AU  - Ghale, Purnima
AU  - Kroonblawd, Matthew P.
AU  - Mniszewski, Sue
AU  - Negre, Christian F. A.
AU  - Pavel, Robert
AU  - Pino, Sergio
AU  - Sardeshmukh, Vivek
AU  - Shi, Guangjie
AU  - Hahn, Georg
PY  - 2017
DO  - 10.1137/16m109404x
UR  - https://www.osti.gov/biblio/1501801
ID  - 1501801
ER  -