Analysis of mapping atomic models to coarse-grained resolution

Low-resolution coarse-grained (CG) models provide significant computational and conceptual advantages for simulating soft materials. However, the properties of CG models depend quite sensitively upon the mapping, M, that maps each atomic configuration, r, to a CG configuration, R. In particular, M d...

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Veröffentlicht in:	The Journal of chemical physics 2024-10, Vol.161 (13)
Hauptverfasser:	Kidder, Katherine M., Noid, W. G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Configuration management Coordinate transformations Entropy Labeling Mapping Representations Uncertainty
Online-Zugang:	Volltext
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