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Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh., , , and . Comput. Phys. Commun., 183 (3): 449-459 (2012)Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications., , and . Concurr. Comput. Pract. Exp., 27 (17): 4763-4783 (2015)An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer., , , , , , and . ICCS, volume 9 of Procedia Computer Science, page 186-195. Elsevier, (2012)OpenOrd: an open-source toolbox for large graph layout., , , and . Visualization and Data Analysis, volume 7868 of SPIE Proceedings, page 786806. SPIE, (2011)A deterministic algorithm for constrained enumeration of transmembrane protein folds., , and . Comput. Biol. Chem., 29 (2): 143-150 (2005)Integrating Distributed Array Processing into EMAS 2900.. Softw. Pract. Exp., 16 (6): 517-529 (1986)Disparate data fusion for protein phosphorylation prediction., , , , and . Ann. Oper. Res., 174 (1): 219-235 (2010)Optimal Neuronal Tuning for Finite Stimulus Spaces., and . Neural Comput., 18 (7): 1511-1526 (2006)Optimizing legacy molecular dynamics software with directive-based offload., , , , and . Comput. Phys. Commun., (2015)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)