Ewald

Pier Paolo Poier1, Louis Lagardère1,2, Jean-Philip Piquemal1,3

  • 1Laboratoire de Chimie Théorique, Sorbonne Université, 75005 Paris, France.

PubMed
概括

一个新的随机兰佐斯算法公式增强了多体分散 (MBD) 建模. 它有效地处理周期性边界条件,优于用于准确的远程相互作用的旧方法.

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