Publications | Dept. Kremer

Journal Article (59)

1.
Journal Article
Alamoudi, M. A.; Khan, J. I.; Firdaus, Y.; Wang, K.; Andrienko, D.; Beaujuge, P. M.; Laquai, F.: Impact of Nonfullerene Acceptor Core Structure on the Photophysics and Efficiency of Polymer Solar Cells. ACS Energy Letters 3 (4), pp. 802 - 811 (2018)
2.
Journal Article
Andrienko, D.: Introduction to liquid crystals. Journal of Molecular Liquids 267 (SI), pp. 520 - 541 (2018)
3.
Journal Article
Asadujjaman, A.; Espinosa de Oliveira, T.; Mukherji, D.; Bertin, A.: Polyacrylamide "revisited'': UCST-type reversible thermoresponsive properties in aqueous alcoholic solutions. Soft Matter 14 (8), pp. 1336 - 1343 (2018)
4.
Journal Article
Avula, N. V. S.; Mondal, A.; Balasubramanian, S.: Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study. The Journal of Physical Chemistry Letters 9 (12), pp. 3511 - 3516 (2018)
5.
Journal Article
Bauer, K. N.; Liu, L.; Andrienko, D.; Wagner, M.; Macdonald, E. K.; Shaver, M. P.; Wurm, F. R.: Polymerizing Phostones: A Fast Way to In-Chain Poly(phosphonate)s with Adjustable Hydrophilicity. Macromolecules 51 (4), pp. 1272 - 1279 (2018)
6.
Journal Article
Bauer, K. N.; Liu, L.; Wagner, M.; Andrienko, D.; Wurm, F.: Mechanistic study on the hydrolytic degradation of polyphosphates. European Polymer Journal 108, pp. 286 - 294 (2018)
7.
Journal Article
Bereau, T.; DiStasio, R. A.; Tkatchenko, A.; von Lilienfeld, O. A.: Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of Chemical Physics 148 (24), 241706 (2018)
8.
Journal Article
Bereau, T.; Rudzinski, J. F.: Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing Dynamics. Physical Review Letters 121 (25), 256002 (2018)
9.
Journal Article
Brand, H. R.; Pleiner, H.; Svensek, D.: Dissipative versus reversible contributions to macroscopic dynamics: the role of time-reversal symmetry and entropy production. Rheologica Acta 57 (12), pp. 773 - 791 (2018)
10.
Journal Article
Demirkesen, I.; Vilgis, T. A.; Mert, B.: Effect of microfluidization on the microstructure and physical properties of a novel yoghurt formulation. Journal of Food Engineering 237, pp. 69 - 77 (2018)
11.
Journal Article
Dunn, N. J. H.; Lebold, K. M.; DeLyser, M.R.; Rudzinski, J. F.; Noid, W. G.: BOCS: Bottom-up Open-source Coarse-graining Software. The Journal of Physical Chemistry B 122 (13), pp. 3363 - 3377 (2018)
12.
Journal Article
Gleede, T.; Rieger, E.; Liu, L.; Bakkali-Hassani, C.; Wagner, M.; Carlotti, S.; Taton, D.; Andrienko, D.; Wurm, F. R.: Alcohol- and Water-Tolerant Living Anionic Polymerization of Aziridines. Macromolecules 51 (15), pp. 5713 - 5719 (2018)
13.
Journal Article
Greco, C.; Ferrarini, A.; Luckhurst, G. R.; Timimi, B. A.; Zimmermann, H.: Structural insights into the twist-bend nematic phase from the integration of H-2-NMR data and modelling: CB7CB and CB6OCB as case studies. Liquid Crystals 45 (13-15), pp. 2361 - 2375 (2018)
14.
Journal Article
Heidari, M.; Cortes-Huerto, R.; Kremer, K.; Potestio, R.: Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations. European Physical Journal E 41 (5), 64 (2018)
15.
Journal Article
Heidari, M.; Kremer, K.; Cortes-Huerto, R.; Potestio, R.: Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids. Journal of Chemical Theory and Computation 14 (7), pp. 3409 - 3417 (2018)
16.
Journal Article
Heidari, M.; Kremer, K.; Potestio, R.; Cortes-Huerto, R.: Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method. Entropy 20 (4), 222 (2018)
17.
Journal Article
Heidari, M.; Kremer, K.; Potestio, R.; Cortes-Huerto, R.: Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations. Molecular Physics 116 (21-22), pp. 3301 - 3310 (2018)
18.
Journal Article
Heimel, P.; Mondal, A.; May, F.; Kowalsky, W.; Lennartz, C.; Andrienko, D.; Lovrincic, R.: Unicolored phosphor-sensitized fluorescence for efficient and stable blue OLEDs. Nature Communications 9, 4990 (2018)
19.
Journal Article
Hinkel, F.; Kim, Y. M.; Zagraniarsky, Y.; Schlütter, F.; Andrienko, D.; Müllen, K.; Laquai, F.: Efficiency-limiting processes in cyclopentadithiophene-bridged donor-acceptor-type dyes for solid-state dye-sensitized solar cells. The Journal of Chemical Physics 148 (4), 044703 (2018)
20.
Journal Article
Hörmann, U.; Zeiske, S.; Piersimoni, F.; Hoffmann, L.; Schlesinger, R.; Koch, N.; Riedl, T.; Andrienko, D.; Neher, D.: Stark effect of hybrid charge transfer states at planar ZnO/organic interfaces. Physical Review B 98 (15), 155312 (2018)
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