Computational field theory of polymers: opportunities and challenges.
basic_science · Level V
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- Record sourced from PubMed, PMID 32900111.
- Also identified by DOI 10.1039/b710604a.
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Abstract
This article highlights my group's recent progress in developing a new class of computer simulation tools for studying the equilibrium self-assembly and thermodynamic properties of complex polymeric fluids. Our approach utilizes well known formal methods for converting "particle-based" statistical mechanical models of fluids into field theories, but builds on the formalism to develop practical strategies for conducting numerical simulations. This (FTS) approach has the advantage of being efficient in treating polymeric fluids at high density and high molecular weight, unlike conventional simulation methods. I report on recent advances in the methodology and emerging applications, as well as challenges for the future.