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20222024
most citedMD-Bench: Engineering the in-core performance of short-range molecular dynamics kernels from state-of-the-art simulation packages

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physics.chem-ph2023★ 1 cited

MD-Bench: Engineering the in-core performance of short-range molecular dynamics kernels from state-of-the-art simulation packages

Rafael Ravedutti Lucio Machado, Jan Eitzinger, Jan Laukemann +3

Molecular dynamics (MD) simulations provide considerable benefits for the investigation and experimentation of systems at atomic level. Their usage is widespread into several resea…