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A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer
Nature
This work presents a framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material.
24 months ago
FIG. 2. Generalized Coordinates encompass torsion angles along the...
ResearchGate
This novel Parallel-Rotation algorithm (ParRot) permits moving very efficiently torsion angles that are deeply inside long chains in melts.
80 months ago