Publications | Dept. Kremer
Journal Article (49)
1.
Journal Article
109 (4 ), pp. 668 - 669 (2015)
Better Together: Lipopeptide Micelle Formation Enhances Antimicrobial Selectivity. Biophysical Journal 2.
Journal Article
11 (7), pp. 3225 - 3233 (2015)
Transferable Atomic Multipole Machine Learning Models for Small Organic Molecules. Journal of Chemical Theory and Computation 3.
Journal Article
143 (24), 243127 (2015)
Folding and insertion thermodynamics of the transmembrane WALP peptide. The Journal of Chemical Physics 4.
Journal Article
248 (3), pp. 395 - 405 (2015)
Enhanced Sampling of Coarse-Grained Transmembrane-Peptide Structure Formation from Hydrogen-Bond Replica Exchange. Journal of Membrane Biology 5.
Journal Article
11 (6), pp. 2783 - 2791 (2015)
Automated Parametrization of the Coarse-Grained Martini Force Field for Small Organic Molecules. Journal of Chemical Theory and Computation 6.
Journal Article
38 (6 ), 65 (2015)
Macroscopic behavior of ferrocholesteric liquid crystals and ferrocholesteric gels and elastomers. European Physical Journal E 7.
Journal Article
117 (1 ), 015304 (2015)
Electron-phonon interaction and thermal boundary resistance at the crystal-amorphous interface of the phase change compound GeTe. Journal of Applied Physics 8.
Journal Article
142 (21), 212415 (2015)
Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. The Journal of Chemical Physics 9.
Journal Article
143 (24), 243107 (2015)
Relative resolution: A hybrid formalism for fluid mixtures. The Journal of Chemical Physics 10.
Journal Article
17 (9), pp. 6305 - 6313 (2015)
Role of the environment in the stability of anisotropic gold particles. Physical Chemistry Chemical Physics 11.
Journal Article
91 (20 ), 205120 (2015)
Revealing the hidden correlated electronic structure of strained graphene. Physical Review B 12.
Journal Article
11 (44), pp. 8599 - 8604 (2015)
Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol? Soft Matter 13.
Journal Article
17 (34), pp. 22054 - 22063 (2015)
Derivation of coarse-grained simulation models of chlorophyll molecules in lipid bilayers for applications in light harvesting systems. Physical Chemistry Chemical Physics 14.
Journal Article
11 (13), pp. 2604 - 2616 (2015)
Semiflexible polymer brushes and the brush-mushroom crossover. Soft Matter 15.
Journal Article
142 (6 ), 064115 (2015)
Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics 16.
Journal Article
8 (5), pp. 1511 - 1522 (2015)
Sub-ns triplet state formation by non-geminate recombination in PSBTBT: PC70BM and PCPDTBT:PC60BM organic solar cells. Energy & Environmental Science 17.
Journal Article
92 (9), 094301 (2015)
Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations. Physical Review B 18.
Journal Article
142 (19 ), 195101 (2015)
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. The Journal of Chemical Physics 19.
Journal Article
11 (3), pp. 532 - 544 (2015)
Fluctuation spectra in polymer nematics and Frank elastic constants: a coarse-grained modelling study. Soft Matter 20.
Journal Article
36 (11), pp. 1047 - 1053 (2015)
Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors. Macromolecular Rapid Communications