Dual Approach for Effective Potentials that Accurately Model Structure and Energetics
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资源简介：
These simulations provide examples of a dual-potential approach to coarse-grained (CG) models. The approach combines force-matching and energy-matching to address the transferability and representability problems of CG models. The resulting models have energies faithful to the original, atomically detailed models and are temperature-transferable over modest ranges.
提供机构：
Penn State Data Commons
创建时间：
2019-06-03
