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Towards microsecond biological molecular dynamics simulations on hybrid processors.

, , , and . HPCS, page 98-107. IEEE, (2010)

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Assessing the role of mini-applications in predicting key performance characteristics of scientific and engineering applications., , , , , , , and . J. Parallel Distrib. Comput., (2015)Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures., , , , , and . Concurrency and Computation: Practice and Experience, 25 (10): 1356-1375 (2013)Poster: Assessing the Predictive Capabilities of Mini-applications., , , , , , , , and . SC Companion, page 1333-1334. IEEE Computer Society, (2012)Optimal Utilization of Heterogeneous Resources for Biomolecular Simulations., , , and . SC, page 1-11. IEEE, (2010)The development of Mellanox/NVIDIA GPUDirect over InfiniBand - a new model for GPU to GPU communications., , , , , , , and . Comput. Sci. Res. Dev., 26 (3-4): 267-273 (2011)Towards microsecond biological molecular dynamics simulations on hybrid processors., , , and . HPCS, page 98-107. IEEE, (2010)LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales., , , , , , , , , and 5 other author(s). Comput. Phys. Commun., (2022)