Search Results for author: Kurt Kremer

Found 3 papers, 0 papers with code

Data-driven identification and analysis of the glass transition in polymer melts

no code implementations25 Nov 2022 Atreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer, Oleksandra Kukharenko

Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental and theoretical polymer sciences.

Clustering

Dynamical properties across different coarse-grained models for ionic liquids

no code implementations4 Feb 2021 Joseph F. Rudzinski, Sebastian Kloth, Svenja Wörner, Tamisra Pal, Kurt Kremer, Tristan Bereau, Michael Vogel

We systematically compare five CG models: a model largely parametrized from experimental thermodynamic observables; a refinement of this model to increase its structural accuracy; and three models that reproduce a given set of structural distribution functions by construction, with varying intramolecular parametrizations and reference temperatures.

Soft Condensed Matter

Proline isomerization regulates the phase behavior of elastin-like polypeptides in water

no code implementations25 Jan 2021 Yani Zhao, Kurt Kremer

Responsiveness of polypeptides and polymers in aqueous solution plays an important role in biomedical applications and in designing advanced functional materials.

Soft Condensed Matter

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