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Updated: Jun 2, 2025

Experimental and Data Analysis Workflow for Soft Matter Nanoindentation
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Published on: January 18, 2022

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从机器学习的微观模拟中推断Onsager系数.

Kaihua Zhang1, Shuanhu Qi2, Yongzhi Ren3,4,5

  • 1School of Chemistry, Beihang University, Beijing 100191, China.

The Journal of chemical physics
|January 15, 2025
PubMed
概括

我们开发了一种机器学习方法,从分子模拟中提取动态密度函数理论 (DDFT) 的Onsager系数. 这种方法通过直接计算这个关键参数来提高聚合物动态建模的准确性.

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