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| Creator | Title | Description | Subject | Date | ||
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 | Bedrov, Dmitro; Smith, Grant D. | Exploration of conformational phase space in polymer melts: a comparison of parallel tempering and conventional molecular dynamics simulations | Parallel tempering molecular dynamics simulations have been performed for 1,4-polybutadiene polymer melts in the 323 K-473 K temperature domain at atmospheric pressure. The parallel tempering approach provides a vast improvement in the equilibration and sampling of conformational phase space for ... | Polymer melts; 1,4-polybutadiene; Conformational phase space; Parallel tempering | 2001 |
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