Publications of Kurt Kremer

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)

Heidari, M.; Cortes Huerto, R.; Potestio, R.; Kremer, K.: Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics 151 (14), 144105 (2019)

Hsu, H.-P.; Kremer, K.: A coarse-grained polymer model for studying the glass transition. The Journal of Chemical Physics 150 (9), 091101 (2019)

Hsu, H.-P.; Kremer, K.: Erratum: A coarse-grained polymer model for studying the glass transition [J. Chem. Phys. 150, 091101 (2019)]. The Journal of Chemical Physics 150 (15), 159902 (2019)

Kremer, K.: Van't Hoff prize for Mischa Bonn. Bunsen-Magazin 21 (5), pp. 196 - 197 (2019)

Mukherji, D.; Watson, M. D.; Morsbach, S.; Schmutz, M.; Wagner, M.; Marques, C. M.; Kremer, K.: Soft and Smart: Co-nonsolvency-Based Design of Multiresponsive Copolymers. Macromolecules 52 (9), pp. 3471 - 3478 (2019)

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)

Wörner, S. J.; Bereau, T.; Kremer, K.; Rudzinski, J. F.: Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of Chemical Physics 151 (24), 244110 (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), pp. 289 - 302 (2019)

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)

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)

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)

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)

Hsu, H.-P.; Kremer, K.: Primitive Path Analysis and Stress Distribution in Highly Strained Macromolecules. ACS Macro Letters 7 (1), pp. 107 - 111 (2018)

Hsu, H.-P.; Kremer, K.: Chain Retraction in Highly Entangled Stretched Polymer Melts. Physical Review Letters 121 (16), 167801 (2018)

Liu, C.; Kremer, K.; Bereau, T.: Polymorphism of Syndiotactic Polystyrene Crystals from Multiscale Simulations. Advanced theory and simulations 1 (7), 1800024 (2018)

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)

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)

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)

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)