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Updated: Mar 13, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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一个混合绿色-库博 (hGK) 框架,用于从短期MD模拟中计算粘度

Akash K Meel1, Santosh Mogurampelly

  • 1Polymer Electrolytes and Materials Group (PEMG), Department of Physics, Indian Institute of Technology Jodhpur, N.H. 62, Nagaur Road, Karwar, Jodhpur, Rajasthan, India 342030.

The journal of physical chemistry letters
|March 12, 2026
PubMed
概括

一种新的混合绿色-库博 (hGK) 方法改进了从分子动力学 (MD) 模拟的粘度计算. 这种方法提高了软物质和电解质的计算效率,在显著减少的采样中提供了准确的预测.

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