@misc{indiciaeb755bddf13d0, title = {Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning}, author = {Ghale, Purnima and Kroonblawd, Matthew P. and Mniszewski, Sue and Negre, Christian F. A. and Pavel, Robert and Pino, Sergio and Sardeshmukh, Vivek and Shi, Guangjie and Hahn, Georg}, year = {2017}, doi = {10.1137/16m109404x}, url = {https://www.osti.gov/biblio/1501801}, note = {Source identifier: 1501801} }