Publikationen von Kostas Ch. Daoulas

Schmitt, M. P.; Wettermann, S.; Daoulas, K. C.; Meyer, H.; Virnau, P.: Topological comparison of flexible and semiflexible chains in polymer melts with θ-chains. The Journal of Chemical Physics 161 (14), 144904 (2024)

Daoulas, K. C.; Markina, A.: Effect of Materials Parameters on the Shape of Face-On Lamellae in Semi-Conducting Polymers: Insights From Qualitative Theory. Macromolecular Rapid Communications 45 (1), 2300437 (2024)

Zhao, Y.; Rothörl, J.; Besenius, P.; Virnau, P.; Daoulas, K. C.: Can Polymer Helicity Affect Topological Chirality of Polymer Knots? ACS Macro Letters 12 (2), S. 234 - 240 (2023)

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), S. 2285 - 2298 (2022)

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)

Li, B.; Daoulas, K.; Schmid, F.: Dynamic coarse-graining of polymer systems using mobility functions. Journal of Physics: Condensed Matter 33 (19), 194004 (2021)

Schlisske, S.; Rosenauer, C.; Rödlmeier, T.; Giringer, K.; Michels, J. J.; Kremer, K.; Lemmer, U.; Morsbach, S.; Daoulas, K.; Hernandez-Sosa, G.: Ink Formulation for Printed Organic Electronics: Investigating Effects of Aggregation on Structure and Rheology of Functional Inks Based on Conjugated Polymers in Mixed Solvents. Advanced Materials Technologies 6 (2), 2000335 (2020)

Zhang, J.; Kremer, K.; Michels, J. J.; Daoulas, K.: Exploring Disordered Morphologies of Blends and Block Copolymers for Light-Emitting Diodes with Mesoscopic Simulations. Macromolecules 53 (231), S. 523 - 538 (2020)

Zhang, J.; Meyer, H.; Virnau, P.; Daoulas, K. C.: Can Soft Models Describe Polymer Knots? Macromolecules 53 (23), S. 10475 - 10486 (2020)

Greco, C.; Melnyk, A.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT. Macromolecules 52 (3), S. 968 - 981 (2019)

Zhang, G.; Chazirakis, A.; Harmandaris, V. A.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. Soft Matter 15 (2), S. 289 - 302 (2019)

Martin, J.; Davidson, E. C.; Greco, C.; Xu, W. M.; Bannock, J. H.; Agirre, A.; de Mello, J.; Segalman, R. A.; Stingelin, N.; Daoulas, K. C.: Temperature-Dependence of Persistence Length Affects Phenomenological Descriptions of Aligning Interactions in Nematic Semiconducting Polymers. Chemistry of Materials 30 (3), S. 748 - 761 (2018)

Ohkuma, T.; Kremer, K.; Daoulas, K.: Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping. Journal of Physics: Condensed Matter 30 (17), 174001 (2018)

Popadic, A.; Svensek, D.; Podgornik, R.; Daoulas, K. C.; Praprotnik, M.: Splay-density coupling in semiflexible main-chain nematic polymers with hairpins. Soft Matter 14 (28), S. 5898 - 5905 (2018)

Zhang, J.; Mukherji, D.; Kremer, K.; Daoulas, K.: Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency. Soft Matter 14 (45), S. 9282 - 9295 (2018)

Jiang, Y.; Greco, C.; Daoulas, K. C.; Chen, J. Z. Y.: Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer. Polymers 9 (2), 48 (2017)

Greco, C.; Jiang, Y.; Chen, J. Z. Y.; Kremer, K.; Daoulas, K. C.: Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations. The Journal of Chemical Physics 145 (18), 184901 (2016)

Tretyakov, N.; Papadopoulos, P.; Vollmer, D.; Butt, H.-J.; Dünweg, B.; Daoulas, K. C.: The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory. The Journal of Chemical Physics 145 (13), 134703 (2016)

Zhang, J.; Mukherji, D.; Daoulas, K. C.: Studying PMMA films on silica surfaces with generic microscopic and mesoscale models. European Physical Journal - Special Topics 225 (8-9), S. 1423 - 1440 (2016)

Gemünden, P.; Daoulas, K. C.: Fluctuation spectra in polymer nematics and Frank elastic constants: a coarse-grained modelling study. Soft Matter 11 (3), S. 532 - 544 (2015)