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000911112 005__ 20221117180429.0
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000911112 037__ $$aFZJ-2022-04438
000911112 1001_ $$0P:(DE-HGF)0$$aWerner, Theresa$$b0
000911112 1112_ $$a12th International Conference on Simulation and Modeling Methodologies, Technologies and Applications$$cLisbon$$d2022-07-14 - 2022-07-16$$wPortugal
000911112 245__ $$aSystematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions
000911112 260__ $$bSCITEPRESS - Science and Technology Publications$$c2022
000911112 300__ $$a218-225
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000911112 520__ $$aMolecular dynamics simulations (MDS), no matter in which form, have always spent a lot of effort on the time-consuming part of direct particle-to-particle interactions (O(N 2 )). Even if the interaction radius of each particle is limited, it remains the most time-critical part, especially when increasing the number of compute nodes to calculate on. This Systematic Literature Review (SLR) focuses on the spatial decomposition approach to MDS and ways to optimize its data exchange. We gathered and compared available concepts related to range-limited interactions and investigated whether they show similarities and how those can be categorized. Based on the findings, we can summarize that all communication schemes are derived from the same basic idea, the so-called shift communication. The concepts differ in which data is communicated and how nodes calculate the forces between particle pairs. Two categories can be distinguished here: home-box-centric and neutral territory methods.
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000911112 588__ $$aDataset connected to CrossRef Conference
000911112 7001_ $$0P:(DE-Juel1)132152$$aKabadshow, Ivo$$b1$$eCorresponding author
000911112 7001_ $$0P:(DE-HGF)0$$aWerner, Matthias$$b2
000911112 773__ $$a10.5220/0011144400003274
000911112 8564_ $$uhttps://juser.fz-juelich.de/record/911112/files/SIMULTECH_2022_15_CR.pdf$$yOpenAccess
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000911112 9141_ $$y2022
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