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A Bandwidth-saving Optimization for MPI Broadcast Collective Operation., , , and . CoRR, (2016)A Cloud-Based Data Farming Platform for Molecular Dynamics Simulations., , , , , and . UCC, page 579-584. IEEE Computer Society, (2014)Semantic interoperability and characterization of data provenance in computational molecular engineering, , , , , , , , , and 4 other author(s). Journal of Chemical & Engineering Data, 65 (3): 1313-1329 (2020)Computational molecular engineering as an emerging technology in process engineering, , , and . it - Information Technology, 55 (3): 97-101 (2013)Characterization of data provenance in computational engineering by an ontological representation of simulation workflows, , , , , , , , and . Data Analytics and Management in Data Intensive Domains: Proceedings of the XXI.\ International Conference (DAMDID/RCDL 2019), page 493-494. Kazan Federal University, (2019)Performance evaluation and optimization of the ls1-MarDyn Molecular Dynamics code on the Cray XE6. Proceedings of the Cray User Groop 2012, (2012)Performance Evaluation of Unified Parallel C for Molecular Dynamics, , , and . 7th International Conference on PGAS Programming Models, page 237. (2013)Temanejo: Debugging of Thread-Based Task-Parallel Programs in StarSS., , , and . Parallel Tools Workshop, page 131-137. Springer, (2011)Impact of the Entering Time on the Performance of MPI Collective Operations, , , , and . International Journal on Advances in Systems and Measurements, (2016)Tools for High Performance Computing 2016, , , , , and . Springer Berlin Heidelberg, (2017)