activity
19972023
most citedEquilibration of Long Chain Polymer Melts in Computer Simulations

574 citations · 6.2k across the 80 of their papers we have counts for

collaborators

81 papers

cond-mat.soft2023★ 14 cited

Glass transition temperature of thin polymer films

Hsiao-Ping Hsu, Kurt Kremer

The glass transition temperature and its connection to statistical properties of confined and free-standing polymer films of varying thickness containing unentangled to highly enta…

cond-mat.soft2022

Stabilizing helicity of polypeptide in aqueous urea: Dipole orientation or hydrogen bonding?

Luis A. Baptista, Yani Zhao, Kurt Kremer +2

Urea denatures proteins due to its strong tendency to dehydrate the first solvation shell via urea-residue preferential binding. However, even after extensive experimental and comp…

cond-mat.soft2022★ 23 cited

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

Atreyee Banerjee, Hsiao-Ping Hsu, Kurt Kremer +1

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…

cond-mat.mtrl-sci2022★ 252 cited

FAIR data enabling new horizons for materials research

Matthias Scheffler, Martin Aeschlimann, Martin Albrecht +11

The prosperity and lifestyle of our society are very much governed by achievements in condensed matter physics, chemistry and materials science, because new products for sectors su…

cond-mat.soft2021

Physical entanglements mediate coherent motion of the active topological glass confined within a spherical cavity

Iurii Chubak, Stanard Mebwe Pachong, Kurt Kremer +2

Motivated by chromosomes enclosed in nucleus and the recently discovered active topological glass, we study a spherically confined melt of long nonconcatenated active polymer rings…

cond-mat.soft2021★ 18 cited

Dynamical properties across different coarse-grained models for ionic liquids

Joseph F. Rudzinski, Sebastian Kloth, Svenja Wörner +4

Room-temperature ionic liquids (RTILs) stand out among molecular liquids for their rich physicochemical characteristics, including structural and dynamic heterogeneity. The signifi…