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Bio-ESMD: A Data Centric Implementation for Large-Scale Biological System Simulation on Sunway TaihuLight Supercomputer

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Published in 2023 at "IEEE Transactions on Parallel and Distributed Systems"

DOI: 10.1109/tpds.2022.3220559

Abstract: Molecular dynamics (MD) simulations of biological systems are playing an increasingly important role in the research of pathogens and drugs. Most MD methods for biological simulations rely on the listed bonds which interact among specific… read more here.

Keywords: sunway taihulight; large scale; data centric; bio esmd ... See more keywords