Figure 2From: Estimation of error in observables of coarse-grained models of atomic systemsNumerical solutions of the coarse-grained model. Coarse-grained model of a polyethylene chain containing 200 monomers with 4 united atoms per coarse-grained bead, P=4, α=1, and β=4: (a) coarse-scale displacement, U(t); (b) local residual ρ(t); (c) adjoint solution, z(t); (d) time evolution in estimated and exact error in QoI, η t .Back to article page