使用MPI进行基于粒子的反应-扩散模拟的并行化

Sikao Guo1, Nenad Korolija2, Kent Milfeld3

  • 1TC Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, Maryland, USA.

概括

我们介绍了一个并行基于粒子的反应扩散软件 (NERDSS),可以有效模拟分子自组装. 这种高分辨率的方法实现了近线性缩放,使化学和生物学中更大,更复杂的模拟成为可能.

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