Publications of Kurt Kremer

Sevilla, M.; Baptista, L. A.; Kremer, K.; Cortes Huerto, R.: Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical molecular dynamics simulations. The Journal of Chemical Physics 162 (8), 080901 (2025)

Hsu, H.-P.; Kremer, K.: Stable polydisperse free-standing porous films made by mechanical deformation. Soft Matter 20 (34), pp. 6779 - 6790 (2024)

Kaygisiz, K.; Rauch-Wirth, L.; Iscen, A.; Hartenfels, J.; Kremer, K.; Münch, J.; Synatschke, C. V.; Weil, T.: Peptide Amphiphiles as Biodegradable Adjuvants for Efficient Retroviral Gene Delivery. Advanced Healthcare Materials 13 (4), 2301364 (2024)

Iscen, A.; Kaygisiz, K.; Synatschke, C. V.; Weil, T.; Kremer, K.: Multiscale Simulations of Self-Assembling Peptides: Surface and Core Hydrophobicity Determine Fibril Stability and Amyloid Aggregation. Biomacromolecules (2024)

Baptista, L. A.; Sevilla, M.; Wagner, M.; Kremer, K.; Cortes Huerto, R.: Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol. European Physical Journal E 46 (11), 117 (2023)

Hsu, H.-P.; Kremer, K.: Glass transition temperature of (ultra-)thin polymer films. The Journal of Chemical Physics 159 (7), 071104 (2023)

Baptista, L. A.; Zhao, Y.; Kremer, K.; Mukherji, D.; Cortes-Huerto, R.: Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? ACS Macro Letters 12 (7), pp. 841 - 847 (2023)

Hsu, H.-P.; Singh, M. K.; Cang, Y.; Therien-Aubin, H.; Mezger, M.; Berger, R.; Lieberwirth, I.; Fytas, G.; Kremer, K.: Free Standing Dry and Stable Nanoporous Polymer Films Made through Mechanical Deformation. Advanced Science 10 (18), 2207472 (2023)

Banerjee, A.; Hsu, H.-P.; Kremer, K.; Kukharenko, O.: Data-Driven Identification and Analysis of the Glass Transition in Polymer Melts. ACS Macro Letters 12, pp. 679 - 684 (2023)

Iscen, A.; Forero-Martinez, N. C.; Valsson, O.; Kremer, K.: Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers. Macromolecules 56 (9), pp. 3272 - 3285 (2023)

Banerjee, A.; Iscen, A.; Kremer, K.; Kukharenko, O.: Determining glass transition in all-atom acrylic polymeric melt simulations using machine learning. The Journal of Chemical Physics 159 (7), 074108 (2023)

Scheffler, M.; Aeschlimann, M.; Albrecht, M.; Bereau, T.; Bungartz, H.-J.; Felser, C.; Greiner, M.; Groß, A.; Koch, C. T.; Kremer, K. et al.; Nagel, W. E.; Scheidgen, M.; Wöll, C.; Draxl, C.: FAIR data enabling new horizons for materials research. Nature 604 (7907), pp. 635 - 642 (2022)

Wood, E. L.; Greco, C.; Ivanov, D. A.; Kremer, K.; Daoulas, K. C.: Mesoscopic Modeling of a Highly-Ordered Sanidic Polymer Mesophase and Comparison With Experimental Data. The Journal of Physical Chemistry B 126 (11), pp. 2285 - 2298 (2022)

Chubak, I.; Pachong, S. M.; Kremer, K.; Likos, C. N.; Smrek, J.: Active Topological Glass Confined within a Spherical Cavity. Macromolecules 55 (3), pp. 956 - 964 (2022)

Zhao, Y.; Kremer, K.: The Effects of Proline Isomerization on the Solvation Behavior of Elastin-Like Polypeptides in Water-Ethanol Mixtures. Macromolecular Rapid Communications 43 (12), 2100907 (2022)

Iscen, A.; Forero-Martinez, N. C.; Valsson, O.; Kremer, K.: Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants. The Journal of Physical Chemistry B 125 (38), pp. 10854 - 10865 (2021)

Zhao, Y.; Kremer, K.: Proline Isomerization Regulates the Phase Behavior of Elastin-Like Polypeptides in Water. The Journal of Physical Chemistry B 125 (34), pp. 9751 - 9756 (2021)

Chen, C.; Singh, M. K.; Wunderlich, K.; Harvey, S.; Whitfield, C.; Zhou, Z.; Wagner, M.; Landfester, K.; Lieberwirth, I.; Fytas, G. et al.; Kremer, K.; Mukherji, D.; Ng, D. Y. W.; Weil, T.: Polymer cyclization for the emergence of hierarchical nanostructures. Nature Communications 12, 3959 (2021)

Rudzinski, J. F.; Kloth, S.; Woerner, S.; Pal, T.; Kremer, K.; Bereau, T.; Vogel, M.: Dynamical properties across different coarse-grained models for ionic liquids. Journal of Physics: Condensed Matter 33 (22), 224001 (2021)

Tubiana, L.; Kobayashi, H.; Potestio, R.; Dünweg, B.; Kremer, K.; Virnau, P.; Daoulas, K.: Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators. Journal of Physics: Condensed Matter 33 (20), 204003 (2021)