Fig. 3: Dynamic scaling and diffusion comparison between UA and MLCG model is shown. | npj Computational Materials

Fig. 3: Dynamic scaling and diffusion comparison between UA and MLCG model is shown.

From: A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer

Fig. 3: Dynamic scaling and diffusion comparison between UA and MLCG model is shown.

The mean squared displacement (MSD) of the center of mass of CG-PTMO and UA chains are computed at a T = 453 K and b T = 553 K. The dashed lines represent the time-scaled MSD of the CG system with scaling factors SUACG = 3.35 and 3.55 at 453 and 553 K, respectively.

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