Publications 2015
Flows and mixing in channels with misaligned superhydrophobic walls
Physical Review E 91 (3),
(2015);
doi:10.1103/physreve.91.033020
A molecular dynamics simulations study on the relations between dynamical heterogeneity, structural relaxation, and self-diffusion in viscous liquids
The Journal of Chemical Physics 143 (16),
164502
(2015);
doi:10.1063/1.4933208
Computer simulations of single particles in external electric fields
Soft Matter 11 (34),
6728-6739
(2015);
doi:10.1039/c5sm01485a
Solvent Determines Nature of Effective Interactions between Nanoparticles in Polymer Brushes
The Journal of Physical Chemistry B 119 (10),
4099-4108
(2015);
doi:10.1021/jp511911g
Flows and mixing in channels with misaligned superhydrophobic walls
Physical Review E 91 (3),
(2015);
doi:10.1103/physreve.91.033020
A molecular dynamics simulations study on the relations between dynamical heterogeneity, structural relaxation, and self-diffusion in viscous liquids
The Journal of Chemical Physics 143 (16),
164502
(2015);
doi:10.1063/1.4933208
The Internal Dynamics of Fibrinogen and Its Implications for Coagulation and Adsorption
PLOS Computational Biology 11 (9),
e1004346
(2015);
doi:10.1371/journal.pcbi.1004346
The role of shear in crystallization kinetics: From suppression to enhancement
Sci. Rep. 5,
14610
(2015);
doi:10.1038/srep14610
Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
The European Physical Journal Special Topics 224 (12),
2505-2506
(2015);
doi:10.1140/epjst/e2015-02533-5
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
The European Physical Journal Special Topics 224 (12),
2289-2304
(2015);
doi:10.1140/epjst/e2015-02412-1
Analysis and numerical solution of the Peterlin viscoelastic model (PhD Thesis)
JGU (2015);
URL: http://ubm.opus.hbz-nrw.de/volltexte/2015/4231/
Mechanical unfolding pathway of a model β-peptide foldamer
The Journal of Chemical Physics 142 (20),
204901
(2015);
doi:10.1063/1.4921371
Comparative Study of the Mechanical Unfolding Pathways of α- and β-Peptides
The Journal of Physical Chemistry B 119 (26),
8313-8320
(2015);
doi:10.1021/acs.jpcb.5b04044
Analysis of the ECMWF Storage Landscape
in Proceedings of the 13th USENIX Conference on File and Storage Technologies {FAST} 2015, Santa Clara, CA, USA, Pages 15 - 27, Usenix (2015);
Molecular Mechanism of Water Evaporation
Phys. Rev. Lett. 115 (23),
236102
(2015);
doi:10.1103/physrevlett.115.236102
The surface roughness, but not the water molecular orientation varies with temperature at the water–air interface
Phys. Chem. Chem. Phys. 17 (36),
23559-23564
(2015);
doi:10.1039/c5cp04022a
Ultrafast Vibrational Dynamics of Water Disentangled by Reverse Nonequilibrium Ab Initio Molecular Dynamics Simulations
Physical Review X 5 (2),
021002
(2015);
doi:10.1103/physrevx.5.021002
Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function
The Journal of Chemical Physics 143 (12),
124702
(2015);
doi:10.1063/1.4931106
Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution
J. Phys. Chem. B 119 (33),
10597–10606
(2015);
doi: 10.1021/acs.jpcb.5b02579
Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water
J. Phys. Chem. Lett., 6 (22),
4499–4503
(2015);
doi:10.1021/acs.jpclett.5b02141
Mechanism of Polymer Collapse in Miscible Good Solvents
The Journal of Physical Chemistry B 119 (51),
15780-15788
(2015);
doi:10.1021/acs.jpcb.5b10684
Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method
The Journal of Chemical Physics 143 (24),
243135
(2015);
doi:10.1063/1.4936253
Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
J. Phys. Chem. C 119 (51),
28470-28481
(2015);
doi:10.1021/acs.jpcc.5b10267
Cycle representatives for the coarse-graining of systems driven into a non-equilibrium steady state
New Journal of Physics 17 (11),
115004
(2015);
doi:10.1088/1367-2630/17/11/115004
Stimuli-Responsive Brushes with Active Minority Components: Monte Carlo Study and Analytical Theory
Macromolecules 48 (11),
3775-3787
(2015);
doi:10.1021/acs.macromol.5b00563
Contact
- Scientific Coordinator of the TRR 146
- Dr. Giovanni Settanni
- Staudingerweg 9
- D-55128 Mainz
- trr146LTr@LDvKPuni-mainz.de