Publications | Dept. Kremer
Journal Article (40)
1.
Journal Article
10 (8), pp. 3104 - 3110 (2014)
Electronic Excitations in Push-Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding. Journal of Chemical Theory and Computation 2.
Journal Article
141 (3), 034101 (2014)
Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion. The Journal of Chemical Physics 3.
Journal Article
140 (11), 115101 (2014)
More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization. The Journal of Chemical Physics 4.
Journal Article
37 (12 ), 122 (2014)
Macroscopic behavior of ferronematic gels and elastomers. European Physical Journal E 5.
Journal Article
37 (9), 83 (2014)
Reversible and dissipative macroscopic contributions to the stress tensor: Active or passive? European Physical Journal E 6.
Journal Article
16 (2), pp. 465 - 484 (2014)
Efficient Simulation of Markov Chains Using Segmentation. Methodology and Computing in Applied Probability 7.
Journal Article
47 (23), pp. 8459 - 8465 (2014)
Interphase of a Polymer at a Solid Interface. Macromolecules 8.
Journal Article
118 (28), pp. 8135 - 8147 (2014)
Computational Two-Dimensional Infrared Spectroscopy without Maps: N-Methylacetamide in Water. The Journal of Physical Chemistry B 9.
Journal Article
192, pp. 32 - 37 (2014)
Generic force fields for ionic liquids. Journal of Molecular Liquids 10.
Journal Article
141 (12 ), 124112 (2014)
Driven translocation of a polymer: Role of pore friction and crowding. The Journal of Chemical Physics 11.
Journal Article
10 (2), pp. 816 - 824 (2014)
Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 12.
Journal Article
77 (2), 022601 (2014)
From a melt of rings to chromosome territories: the role of topological constraints in genome folding. Reports on Progress in Physics 13.
Journal Article
4 (2), 1300640 (2014)
Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells. Advanced Energy Materials 14.
Journal Article
141 (16), 164903 (2014)
Monte Carlo simulations of lattice models for single polymer systems. The Journal of Chemical Physics 15.
Journal Article
141 (23 ), 234901 (2014)
Lattice Monte Carlo simulations of polymer melts. The Journal of Chemical Physics 16.
Journal Article
30 (51), pp. 15486 - 15495 (2014)
Molecular Dynamics Simulations of Peptides at the Air-Water Interface: Influencing Factors on Peptide-Templated Mineralization. Langmuir 17.
Journal Article
118 (14), pp. 3960 - 3972 (2014)
Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields. Journal of Physical Chemistry B 18.
Journal Article
10 (6), pp. 2508 - 2513 (2014)
Parametrization of Extended Gaussian Disorder Models from Microscopic Charge Transport Simulations. Journal of Chemical Theory and Computation 19.
Journal Article
108 (3), 30007 (2014)
A unified framework for force-based and energy-based adaptive resolution simulations. EPL 20.
Journal Article
60, pp. 95 - 99 (2014)
Effects of applied lateral electric field and hydrostatic pressure on the intraband optical transitions in a GaAs/Ga1-xAlxAs quantum ring. Physica E: Low-Dimensional Systems And Nanostructures