Results for quantum molecular dynamics

Publications & Outputs

1. Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning

   Ghale, P., Kroonblawd, M. P., Mniszewski, S., Negre, C. F. A., Pavel, R., Pino, S., Sardeshmukh, V., Shi, G. & Hahn, G., 2017, In: SIAM Journal on Scientific Computing. 39, 6, p. C466-C480 15 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review