通过多目标优化与差分模拟进行结构粗粒化

Zhenghao Wu1, Tianhang Zhou2

  • 1Department of Chemistry, Xi'an Jiaotong-Liverpool University, Suzhou, Jiangsu 215123, P. R. China.

概括

我们开发了可微分粗粒度 (DiffCG) 来创建精确的聚合物模型. 这种方法优化了跨温度可转移模拟的有效潜力,提高了聚合物建模效率.

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