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en.wikipedia.org/wiki/GranularityPrivate View A coarse-grained description of a system regards large subcomponents. A fine-grained description regards smaller components of which the larger ones are composed. The concepts granularity, coarseness, and fineness are relative; and are used when comparing systems or descriptions of systems.
Introduction: Coarse-Graining in Molecular Modeling and Simulation ... pubs.acs.org/doi/10.1021/ct600124aPrivate View This partial special issue of the Journal of Chemical Theory and Computation is devoted to the topic of coarse-graining in molecular modeling and simulation. To my knowledge, it is the first time that coarse-graining concepts and techniques from the application areas of biomolecular, materials, and liquid-state systems have been published together in the same place.
Enhancing Coarse-Grained Models through Machine Learning pubs.acs.org/doi/10.1021/acs.jcim.4c00537Private View We introduce a general framework for constructing coarse-grained potential models without ad hoc approxns. such as limiting the potential to two- and/or three-body contributions. The scheme, called the Deep Coarse-Grained Potential (abbreviated DeePCG), exploits a carefully crafted neural network to construct a many-body coarse-grained potential.
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