Publications | Dept. Kremer
Journal Article (60)
1.
Journal Article
4 (5), 053101 (2016)
Research Update: Computational materials discovery in soft matter. APL Materials 2.
Journal Article
120 (26), pp. 6391 - 6400 (2016)
Protein-Backbone Thermodynamics across the Membrane Interface. The Journal of Physical Chemistry B 3.
Journal Article
225 (8-9), pp. 1663 - 1671 (2016)
Understanding the stiffness of macromolecules: From linear chains to bottle-brushes. European Physical Journal - Special Topics 4.
Journal Article
12 (8), pp. 3441 - 3448 (2016)
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials. Journal of Chemical Theory and Computation 5.
Journal Article
39 (11), 105 (2016)
Macroscopic behavior of polar nematic gels and elastomers. European Physical Journal E 6.
Journal Article
25 (6), pp. 518 - 523 (2016)
Scaling Laws of Bottle-Brush Polymers in Dilute Solutions. Macromolecular Theory and Simulations 7.
Journal Article
94 (5), 052102 (2016)
High-precision estimate of the hydrodynamic radius for self-avoiding walks. Physical Review E 8.
Journal Article
145 (14), 141103 (2016)
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations. The Journal of Chemical Physics 9.
Journal Article
28 (43), 433002 (2016)
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics. Journal of Physics: Condensed Matter 10.
Journal Article
144 (17), 174106 (2016)
C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids. The Journal of Chemical Physics 11.
Journal Article
225 (8-9), pp. 1317 - 1321 (2016)
Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications. European Physical Journal - Special Topics 12.
Journal Article
138 (24), pp. 7610 - 7620 (2016)
Dynamical Disorder in the DNA Hydration Shell. Journal of the American Chemical Society 13.
Journal Article
12 (7), pp. 3008 - 3019 (2016)
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. Journal of Chemical Theory and Computation 14.
Journal Article
84 (12), pp. 1902 - 1913 (2016)
A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site. Proteins: Structure, Function, and Bioinformatics 15.
Journal Article
145 (18), 184901 (2016)
Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations. The Journal of Chemical Physics 16.
Journal Article
94 (5), 054306 (2016)
Long-range interatomic forces can minimize heat transfer: From slowdown of longitudinal optical phonons to thermal conductivity minimum. Physical Review B 17.
Journal Article
225 (8-9), pp. 1505 - 1526 (2016)
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations. European Physical Journal - Special Topics 18.
Journal Article
12 (48), pp. 9803 - 9820 (2016)
Equilibrium binding energies from fluctuation theorems and force spectroscopy simulations. Soft Matter 19.
Journal Article
144 (15), 154907 (2016)
Static and dynamic properties of large polymer melts in equilibrium. The Journal of Chemical Physics 20.
Journal Article
644, pp. 113 - 121 (2016)
Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory. Surface Science