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TitleDual Approach for Effective Potentials that Accurately Model Structure and Energetics
Date2019
AbstractThese 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.
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Data DOIdoi:10.26208/sj0e-pj49

Researchers
Noid, W. G.
Penn State Department of Chemistry
Lebold, K.
Penn State Department of Chemistry

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