Browsing Physics and Astronomy by Author "Smith, Grant"
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Bidirectional mapping between self-consistent field theory and molecular dynamics
Thompson, Russell B.; Sewell, Thomas; Rasmussen, Kim; Bedrov, Dmitry; Smith, Grant (AIP Publishing, 2007-10-08)A bidirectional mapping scheme that bridges particle-based and field-based descriptions for polymers is presented. Initial application is made to immiscible homopolymer blends. The forward mapping (upscaling) approach ...