Jacob K Metcalfe1, Ryan J Szukalo1, Michael A Webb2

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.

概括

我们开发了一种通过受限制模拟 (GAMERS) 实现宏分子平衡的通用方法,以有效平衡聚合物系统. 这种方法避免了复杂的粗粒度模型开发,为准确的聚合物模拟提供了更快的途径.

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