We present data-driven coarse-grained (CG) modeling for polymers in solution, which conserves the dynamic as well as structural properties of the underlying atomistic system. The CG modeling is built upon...
The present work concerns the transferability of coarse-grained (CG) modeling in reproducing the dynamic properties of the reference atomistic systems across a range of parameters. In particular, we focus on...
Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system...
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