Publications of Kostas Daoulas

Gemünden, P.; Poelking, C.; Kremer, K.; Daoulas, K.; Andrienko, D.: Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors. Macromolecular Rapid Communications 36 (11), pp. 1047 - 1053 (2015)

Zhang, G.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics 142 (22), 221102 (2015)

Zhang, G.; Moreira, L. A.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Equilibration of High Molecular Weight Polymer Melts: A Hierarchical Strategy. ACS Macro Letters 3 (2), pp. 198 - 203 (2014)

Daoulas, K. C.; Müller, M.: Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations. Soft Matter 9 (15), pp. 4097 - 4102 (2013)

Gemünden, P.; Poelking, C.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors. Macromolecules 46 (14), pp. 5762 - 5774 (2013)

Zhang, G.; Daoulas, K. C.; Kremer, K.: A New Coarse Grained Particle-To-Mesh Scheme for Modeling Soft Matter. Macromolecular Chemistry and Physics 214 (2), pp. 214 - 224 (2013)

Daoulas, K. C.; Ruehle, V.; Kremer, K.: Simulations of nematic homopolymer melts using particle-based models with interactions expressed through collective variables. Journal of Physics: Condensed Matter 24 (28), 284121 (2012)

Müller, M.; Daoulas, K. C.: Speeding Up Intrinsically Slow Collective Processes in Particle Simulations by Concurrent Coupling to a Continuum Description. Physical Review Letters 107 (22), 227801 (2011)

Weiss, E.; Daoulas, K. C.; Müller, M.; Shenhar, R.: Quasi-Block Copolymers: Design, Synthesis, and Evidence for Their Formation in Solution and in the Melt. Macromolecules 44 (24), pp. 9773 - 9781 (2011)

Daoulas, K. C.: Top-Down Hybrid Models of Polymers. In: Handbook of Materials Modeling: Methods: Theory and Modeling, pp. 1 - 20 (Eds. Andreoni, W.; Yip, S.). Springer, Cham (2018)

Poelking, C.; Daoulas, K.; Troisi, A.; Andrienko, D.: Morphology and Charge Transport in P3HT: A Theorist's Perspective. In: P3HT Revisited – From Molecular Scale to Solar Cell Devices, pp. 139 - 180 (Ed. Ludwigs , S.). Springer, Berlin Heidelberg (2014)

Hsu, H.-P.; Zhang, G.; Stühn, T.; Daoulas, K.; Kremer, K.: Hierarchical Modelling of Entangled Polymer Melts: Structure and Rheology. In: NIC Series, Vol. 49, pp. 303 - 312 (Eds. Binder, K.; Müller, M.; Trautmann, A.). NIC Symposium, Jülich, February 22, 2018 - February 23, 2018. John von Neumann Institute for Computing (NIC), Jülich (2018)

Zhang, G.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical Modelling of High-Molecular Weight Polymer Melts: From Soft Blobs to Microscopic Description. In: NIC Series, Vol. 48, pp. 261 - 270 (Eds. Binder, K.; Müller, M.; Kremer, M.; Schnurpfeil, A.). NIC Symposium, Jülich, February 11, 2016 - February 12, 2016. John von Neumann Institute for Computing (NIC), Jülich (2016)

Martin, J.; Davidson, E.; Greco, C.; Xu, W.; Bannock, J.; Agirre, A.; de Mello, J.; Segalman, R.; Stingelin, N.; Daoulas, K.: Temperature dependence of persistence length affects top-down descriptions of aligning interactions in nematic conjugated polymers. In Abstracts of Papers of the American Chemical Society, (256), 622. 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, August 19, 2018 - August 23, 2018. (2018)

Zhang, G.; Moreira, L.; Stühn, T.; Daoulas, K.; Kremer, K.: Equilibration of high molecular-weight polymer melts: A hierarchical universal strategy. In Abstracts of Papers of the American Chemical Society, 249, 236. 249th National Meeting of the American-Chemical-Society (ACS), Denver, CO, March 20, 2015 - March 27, 2015. (2015)

Zhang, G.; Daoulas, K. C.; Kremer, K.: Multiscale strategy for fast equilibration of long polymer melts: Coarse-graining and sequential backmapping. In Abstracts of Papers of the American Chemical Society, 246, 153-PHYS. 246th National Meeting of the American-Chemical-Society (ACS), Indianapolis, IN, September 08, 2013 - September 12, 2013. (2013)