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The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures

This work develops a method for the construction of multiscale coarse-grained (MS-CG) force fields at different temperatures based on available atomistic data at a given reference temperature. The validity of this theory is demonstrated numerically by applying it to construct MS-CG models of the Len...

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Bibliografske podrobnosti
Main Authors: Krishna, Vinod, Noid, Will G., Voth, Gregory A.
Format: Artigo
Jezik:Inglês
Izdano: American Institute of Physics 2009
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2721766/
https://ncbi.nlm.nih.gov/pubmed/19603966
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3167797
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