:

Marco Oestereich1, Jürgen Gauss1, Gregor Diezemann1

  • 1Department Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, 55128 Mainz, Germany.

PubMed
概括

适应分辨率方案 (AdResS) 模拟准确地捕捉了分子展开的动态. 这种方法提高了力探针分子动力学 (FPMD) 模拟的计算效率,匹配实验时间尺度.

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