# Publications 2019

A hybrid mass transport finite element method for Keller–Segel type systems

J. Sci. Comp 80,
1777-1804
(2019);

doi:10.1007/s10915-019-00997-0

Convergence of a finite volume scheme for the compressible Navier-Stokes system

ESAIM: Math. Model. Num. 53,
1957–1979
(2019);

doi: https://doi.org/10.1051/m2an/2019043

Shear Modulus of an Irreversible Diblock Copolymer Network from Self-Consistent Field Theory

Macromolecules 52 (24),
9569-9577
(2019);

doi:10.1021/acs.macromol.9b01985

Order–Order Phase Transitions Induced by Supercritical Carbon Dioxide in Triblock Copolymer Thin Films

Macromolecules 52 (20),
7786-7797
(2019);

doi:10.1021/acs.macromol.9b01278

Influence of Polymer Bidispersity on the Effective Particle–Particle Interactions in Polymer Nanocomposites

Macromolecules,
(2019);

doi:10.1021/acs.macromol.9b01367

Surface of Half-Neutralized Diamine Triflate Ionic Liquids. A Molecular Dynamics Study of Structure, Thermodynamics, and Kinetics of Water Absorption and Evaporation

The Journal of Physical Chemistry B 123 (40),
8457-8471
(2019);

doi:10.1021/acs.jpcb.9b06619

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);

doi:10.1063/1.5117780

On the relevance of electrostatic interactions for the structural relaxation of ionic liquids: A molecular dynamics simulation study

The Journal of Chemical Physics 150 (12),
124501
(2019);

doi:10.1063/1.5085508

A note on the uniqueness result for the inverse Henderson problem

Journal of Mathematical Physics 60 (9),
093303
(2019);

Highlighted on Scilight, see
https://aip.scitation.org/doi/10.1063/1.5134789

doi:10.1063/1.5112137

Mechanical and Structural Tuning of Reversible Hydrogen Bonding in Interlocked Calixarene Nanocapsules

The Journal of Physical Chemistry B 123 (22),
4688-4694
(2019);

doi:10.1021/acs.jpcb.9b02676

Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations

The Journal of Chemical Physics 151 (4),
045102
(2019);

doi:10.1063/1.5111717

Relative entropy indicates an ideal concentration for structure-based coarse graining of binary mixtures

Phys. Rev. E 99,
053308
(2019);

doi:10.1103/PhysRevE.99.053308

Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures

J. Chem. Theory Comp 15,
2881-2895
(2019);

doi:10.1021/acs.jctc.8b01170

Conditional reversible work coarse-grained models with explicit electrostatics - An application to butylmethylimidazolium ionic liquids

J. Chem. Theory Comp. 15,
1187-1198
(2019);

doi:10.1021/acs.jctc.8b00881

Phase equilibria modeling with systematically coarse-grained models - A comparative study on state point transferability

J. Phys. Chem. B 123,
504-515
(2019);

doi:10.1021/acs.jpcb.8b07320

Polydispersity Effects on Interpenetration in Compressed Brushes

Macromolecules 52 (4),
1810-1820
(2019);

doi:10.1021/acs.macromol.8b02361

How ill-defined constituents produce well-defined nanoparticles: Effect of polymer dispersity on the uniformity of copolymeric micelles

Physical Review Materials 3 (2),
(2019);

doi:10.1103/physrevmaterials.3.026002

An asymptotic preserving scheme for kinetic chemotaxis models in two space dimensions

Kinetic and Related Models 12 (1),
195–216
(2019);

URL: http://aimsciences.org//article/doi/10.3934/krm.2019009

doi:10.3934/krm.2019009

Energy-stable linear schemes for polymer-solvent phase field models

Comp. Math. Appl. 77 (1),
125-143
(2019);

URL: https://www.sciencedirect.com/science/article/pii/S0898122118305303?via%3Dihub

doi:https://doi.org/10.1016/j.camwa.2018.09.018

## Contact

- Scientific Coordinator of the TRR 146
- Dr. Giovanni Settanni
- Staudingerweg 9
- D-55128 Mainz
- trr146Yt-VzRV@bxCuni-mainz.de