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most citedParameterization of Coarse-grained Molecular Interactions through Potential of Mean Force Calculations and Cluster Expansions Techniques

20 citations · 20 across the 3 of their papers we have counts for

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cond-mat.soft2016★ 20 cited

Parameterization of Coarse-grained Molecular Interactions through Potential of Mean Force Calculations and Cluster Expansions Techniques

Anastasios Tsourtis, Vagelis Harmandaris, Dimitrios Tsagkarogiannis

We present a systematic coarse-graining (CG) strategy for many particle molecular systems based on cluster expansion techniques. We construct a hierarchy of coarse-grained Hamilton…