Publicatons from 2013

Journal Article (363)

  1. 1.
    Journal Article
    Wang, Z.; Rolle, K.; Schilling, T.; Hummel, P.; Philipp, A.; Kopera, B. A. F.; Lechner, A. M.; Retsch, M.; Breu, J.; Fytas, G.: Tunable Thermoelastic Anisotropy in Hybrid Bragg Stacks with Extreme Polymer Confinement. Angewandte Chemie, International Edition in English (2019)
  2. 2.
    Journal Article
    Kanekal, K.; Bereau, T.: Resolution limit of data-driven coarse-grained models spanning chemical space. The Journal of Chemical Physics 151 (16), 164106 (2019)
  3. 3.
    Journal Article
    Braun, K.; Hanewald, A.; Vilgis, T. A.: Milk emulsions: Structure and stability. Foods 8 (10) (2019)
  4. 4.
    Journal Article
    Forero-Martinez, N. C.; Cortes Huerto, R.; Mora Cardozo, J. F.; Ballone, P. A.: Surface of half-neutralized diamine triflate ionic liquids. A molecular dynamics study of structure, thermodynamics, and kinetics of water absorption and evaporation. The Journal of Physical Chemistry B 123 (40), pp. 8457 - 8471 (2019)
  5. 5.
    Journal Article
    Hsu, H.-P.; Kremer, K.: Clustering of Entanglement Points in Highly Strained Polymer Melts. Macromolecules 52 (17), pp. 6756 - 6772 (2019)
  6. 6.
    Journal Article
    Ryu, M.; Cang, Y.; Wang, Z.; Fytas, G.; Morikawa, J.: Temperature-Dependent Thermoelastic Anisotropy of the Phenyl Pyrimidine Liquid Crystal. The Journal of Physical Chemistry C 123 (28), pp. 17148 - 17154 (2019)
  7. 7.
    Journal Article
    Rydzewski, J.; Valsson, O.: Finding multiple reaction pathways of ligand unbinding. The Journal of Chemical Physics 150 (22) (2019)
  8. 8.
    Journal Article
    Menichetti, R.; Bereau, T.: Revisiting the Meyer-Overton rule for drug-membrane permeabilities. Molecular Physics (2019)
  9. 9.
    Journal Article
    Abetz, V.; Kremer, K.; Marcus, M.; Reiter, G.: Functional Macromolecular Systems: Kinetic Pathways to Obtain Tailored Structures. Macromolecular Chemistry and Physics 220 (2), 1800334 (2019)
  10. 10.
    Journal Article
    Balawi, A. H.; Stappert, S.; Gorenflot, J.; Li, C.; Müllen, K.; Andrienko, D.; Laquai, F.: Direct and Energy-Transfer-Mediated Charge-Transfer State Formation and Recombination in Triangulene-Spacer-Perylenediimide Multichromophores: Lessons for Photovoltaic Applications. The Journal of Physical Chemistry C 123 (27), pp. 16602 - 16613 (2019)
  11. 11.
    Journal Article
    Beccard, S.; Bernard, J.; Wouters, R.; Gehrich, K.; Zielbauer, B.; Mezger, M.; Vilgis, T. A.: Alteration of the structural properties of inulin gels. Food Hydrocolloids 89, pp. 302 - 310 (2019)
  12. 12.
    Journal Article
    Bonomi, M.; Bussi, G.; Camilloni, C.; Tribello, G. A.; Banáš, P.; Barducci, A.; Bernetti, M.; Bolhuis, P. G.; Bottaro, S.; Branduardi, D. et al.; Capelli, R.; Carloni, P.; Ceriotti, M.; Cesari, A.; Chen, H.; Chen, W.; Colizzi, F.; De, S.; La Pierre, M. D.; Donadio, D.; Drobot, V.; Ensing, B.; Ferguson, A. L.; Filizola, M.; Fraser, J. S.; Fu, H.; Gasparotto, P.; Gervasio, F. L.; Giberti, F.; Gil-Ley, A.; Giorgino, T.; Heller, G. T.; Hocky, G. M.; Iannuzzi, M.; Invernizzi, M.; Jelfs, K. E.; Jussupow, A.; Kirilin, E.; Laio, A.; Limongelli, V.; Lindorff-Larsen, K.; Löhr, T.; Marinelli, F.; Martin-Samos, L.; Masetti, M.; Meyer, R.; Michaelides, A.; Molteni, C.; Morishita, T.; Nava, M.; Paissoni, C.; Papaleo, E.; Parrinello, M.; Pfaendtner, J.; Piaggi, P.; Piccini, G.; Pietropaolo, A.; Pietrucci, F.; Pipolo, S.; Provasi, D.; Quigley, D.; Raiteri, P.; Raniolo, S.; Rydzewski, J.; Salvalaglio, M.; Sosso, G. C.; Spiwok, V.; Šponer, J.; Swenson, D. W. H.; Tiwary, P.; Valsson, O.; Vendruscolo, M.; Voth, G. A.; White, A.: Promoting transparency and reproducibility in enhanced molecular simulations. Nature methods 16 (8) (2019)
  13. 13.
    Journal Article
    Brand, H. R.; Pleiner, H.: Cubic and tetragonal liquid crystal phases composed of non-chiral molecules: Chirality and macroscopic properties. European Physical Journal E 42 (11), 142 (2019)
  14. 14.
    Journal Article
    Centi, A.; Manning, a. J. R. H.; Srivastava, b. V.; van Meurs, b. S.; Patwardhan, c. S. V.; Jorge, M.: The role of charge-matching in nanoporous materials formation. Materials Horizons 6 (5), pp. 1027 - 1033 (2019)
  15. 15.
    Journal Article
    Ferrari, F.; Paturej, J.; Pia̧tek, M.; Zhao, Y.: Knots, links, anyons and statistical mechanics of entangled polymer rings. Nuclear Physics B 945, 114673 (2019)
  16. 16.
    Journal Article
    Forero-Martinez, N. C.; Baumeier, B.; Kremer, K.: Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths. Macromolecules 52 (14), pp. 5307 - 5316 (2019)
  17. 17.
    Journal Article
    Girard, M.; Ehlen, A.; Shakya, A.; Bereau, T.; De La Cruz, M. O.: Hoobas: A highly object-oriented builder for molecular dynamics. Computational Materials Science 167, pp. 25 - 33 (2019)
  18. 18.
    Journal Article
    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), pp. 968 - 981 (2019)
  19. 19.
    Journal Article
    Guzman, H. V.; Tretyakov, N.; Kobayashi, H.; Fogarty, A. C.; Kreis, K.; Krajniak, J.; Junghans, C.; Kremer, K.; Stühn, T.: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 238, pp. 66 - 76 (2019)
  20. 20.
    Journal Article
    Heidari, M.; Satarifard, V.; Mashaghi, A.: Mapping a single-molecule folding process onto a topological space. Physical Chemistry Chemical Physics 21 (36), pp. 20338 - 20345 (2019)
 
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