MPIP Publications

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Journal Article (242)

  1. 1.
    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)
  2. 2.
    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)
  3. 3.
    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)
  4. 4.
    Journal Article
    Hsu, H.-P.; Kremer, K.: A coarse-grained polymer model for studying the glass transition. The Journal of Chemical Physics 150 (9), 091101 (2019)
  5. 5.
    Journal Article
    Smrek, J.; Kremer, K.; Rosa, A.: Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures. ACS Macro Letters 8 (2), pp. 155 - 160 (2019)
  6. 6.
    Journal Article
    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), pp. 289 - 302 (2019)
  7. 7.
    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)
  8. 8.
    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)
  9. 9.
    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)
  10. 10.
    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)
  11. 11.
    Journal Article
    Hsu, H.-P.; Kremer, K.: Chain Retraction in Highly Entangled Stretched Polymer Melts. Physical Review Letters 121 (16), 167801 (2018)
  12. 12.
    Journal Article
    Hsu, H.-P.; Kremer, K.: Primitive Path Analysis and Stress Distribution in Highly Strained Macromolecules. ACS Macro Letters 7 (1), pp. 107 - 111 (2018)
  13. 13.
    Journal Article
    Liu, C.; Kremer, K.; Bereau, T.: Polymorphism of Syndiotactic Polystyrene Crystals from Multiscale Simulations. Advanced theory and simulations 1 (7), 1800024 (2018)
  14. 14.
    Journal Article
    Menichetti, R.; Kremer, K.; Bereau, T.: Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane. Biochemical and Biophysical Research Communications 498 (2), pp. 282 - 287 (2018)
  15. 15.
    Journal Article
    Morsbach, S.; Gonella, G.; Mailänder, V.; Wegner, S.; Wu, S.; Weidner, T.; Berger, R.; Koynov, K.; Vollmer, D.; Encinas, N. et al.; Kuan, S. L.; Bereau, T.; Kremer, K.; Weil, T.; Bonn, M.; Butt, H.-J.; Landfester, K.: Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie International Edition 57 (39), pp. 12626 - 12648 (2018)
  16. 16.
    Journal Article
    Mukherji, D.; Marques, C. M.; Kremer, K.: Collapse in two good solvents, swelling in two poor solvents: defying the laws of polymer solubility? Journal of Physics: Condensed Matter 30 (2), 024002 (2018)
  17. 17.
    Journal Article
    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)
  18. 18.
    Journal Article
    Smrek, J.; Kremer, K.: Interfacial Properties of Active-Passive Polymer Mixtures. Entropy 20 (7), 520 (2018)
  19. 19.
    Journal Article
    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), pp. 9282 - 9295 (2018)
  20. 20.
    Journal Article
    Backes, S.; Krause, P.; Tabaka, W.; Witt, M. U.; Mukherji, D.; Kremer, K.; von Klitzing, R.: Poly(N-isopropylacrylamide) Microgels under Alcoholic Intoxication: When a LCST Polymer Shows Swelling with Increasing Temperature. ACS Macro Letters 6 (10), pp. 1042 - 1046 (2017)
 
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