Coarse graining reversed

Mapping and Reverse Mapping of Coarse-Grained RIS Chains. 81... 

One of the important limitations of these methods, in their current state of development, is the necessity to conduct a new coarse-graining for each new type of polymer that is simulated. Major opportunities to increase the utility of this class of simulations lie in the development of methods, which make the mapping to the coarse-grained structure (and the reverse-mapping back to the structure expressed in fully atomistic detail) as general (and painless) as possible when new polymers are treated. This area is the subject of continuing work by all four groups. 

Bannwarth and co-workers have recently developed new protocols for the separation and recycling of perfluoro-tagged catalysts without the need for fluorous solvents [25]. They have employed Pd complexes 11c, lid, and 17, immobilized by adsorption on fluorous reversed-phase silica gels (FRPSG) 18 and 19, and demonstrated the application to Suzuki couplings in organic solvents. Coarse-grained... 

This chapter will review the generation of free-standing thin films and fibers with a coarse-grained simulation method on a high coordination lattice,performed in a manner that allows accurate reverse-mapping of individual replicas to a fully atomistic representation in continuous space.4 After describing some of the properties of these films and fibers, we will present some new information about the limits on the stability of the models of these nanofibers. 

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