Computer-Aided Polymer Design: Integrating Group Contribution and Molecular Dynamics
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DOI: 10.1021/acs.iecr.9b02769
Abstract: Polymers are widely used to manufacture many chemical products. Often, polymers are designed by trial-and-error, which is expensive and time-consuming. In this work, a new optimization-based computer-aided polymer design (CAPD) framework with a tailored algorithm… read more here.
Keywords: polymer design; molecular dynamics; group contribution; aided polymer ... See more keywords