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In Quest of Optimal Algorithms for Molecular Dynamics Simulation of Surface Phenomena

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Mościński J., Alda W., Bargiel M., Bubak M., Dzwinel W., Kitowski J., Mościńska E., Skotniczny Z.
Acta Physica Polonica A
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1991
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vol. 80
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issue 5
649-652
EN
In this paper we present short-range molecular dynamics algorithms and programs elaborated for sequential and vector computer architectures. They are suitable for investigations of surface and subsurface layer properties which require of about 10^{5} molecules in a computational box.
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