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Path-Integral and Coarse-Graining Strategies for Complex Molecular Phenomena

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Figure 2.1: A schematic overview of the study.
Figure 2.2: Repeat units for polyesters. Oxygen atoms are colored according to type:
Figure 2.3: Ion transport properties in the dilute-ion limit at 363 K. Lithium-ion mean square-displacement (MSD) from MD simulations in PEO and the (a) type-1 polymers, (b) type-2 polymers, and (c) type-3 polymers
Figure 2.4: (a) T g obtained via experiment using DSC (open symbols) and via MD using simulated dilatometry (filled symbols)
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