Publications2017
Fréchet differentiability of molecular distribution functions II: the Ursell function
Letters in Mathematical Physics108 (2),307-329 (2017);
doi:10.1007/s11005-017-1010-7
Fréchet differentiability of molecular distribution functions I. $$L^\infty $$ L ∞ analysis
Letters in Mathematical Physics108 (2),285-306 (2017);
doi:10.1007/s11005-017-1009-0
Well-Posedness of the Iterative Boltzmann Inversion
Journal of Statistical Physics170 (3),536-553 (2017);
doi:10.1007/s10955-017-1944-2
A unique juxtaglomerular apparatus in the river ray, Potamotrygon humerosa, a freshwater stingray
Zoomorphology137 (1),155-164 (2017);
doi:10.1007/s00435-017-0372-9
Energy-Stable Numerical Schemes for Multiscale Simulations of Polymer–Solvent Mixtures
in Mathematical Analysis of Continuum Mechanics and Industrial Applications II, Mathematics for Industry,Pages153-165,Springer Singapore (2017);
doi:10.1007/978-981-10-6283-4_13
Nanophase Segregation of Self-Assembled Monolayers on Gold Nanoparticles
ACS Nano11 (7),7371-7381 (2017);
doi:10.1021/acsnano.7b03616
Numerical analysis of the Oseen-type Peterlin viscoelastic model by the stabilized Lagrange-Galerkin method. Part I: a nonlinear scheme
ESAIM Math. Model. Numer. Anal. 51 (5),1637–1661. (2017);
URL: https://www.esaim-m2an.org/
Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study
The Journal of Physical Chemistry C122 (1),624-634 (2017);
doi:10.1021/acs.jpcc.7b10567
Force probe simulations using a hybrid scheme with virtual sites
The Journal of Chemical Physics147 (13),134909 (2017);
doi:10.1063/1.4986194
Implicit-explicit and explicit projection schemes for the unsteady incompressible Navier–Stokes equations using a high-order dG method
Computers & Fluids154,285-295 (2017);
doi:10.1016/j.compfluid.2017.06.003
Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats
Computer Physics Communications, (2017);
doi:10.1016/j.cpc.2017.10.016
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles
Chemistry of Materials29 (22),9648-9656 (2017);
doi:10.1021/acs.chemmater.7b02872
Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes
Physical Review E96 (5), (2017);
doi:10.1103/physreve.96.053311
Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales
The Journal of Chemical Physics147 (11),114501 (2017);
doi:10.1063/1.5001482
Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics – A Proof of Concept Study on Weakly Polar Organic Molecules
Journal of Chemical Theory and Computation13 (12),6158-6166 (2017);
doi:10.1021/acs.jctc.7b00611
Evaluation of mapping schemes for systematic coarse graining of higher alkanes
Physical Chemistry Chemical Physics19 (34),23034-23042 (2017);
doi:10.1039/c7cp03926c
Flow properties and hydrodynamic interactions of rigid spherical microswimmers
Physical Review E96 (5), (2017);
doi:10.1103/physreve.96.052608
The Hydrophobic Effect and the Role of Cosolvents
The Journal of Physical Chemistry B121 (43),9986-9998 (2017);
doi:10.1021/acs.jpcb.7b06453
Molecular origin of urea driven hydrophobic polymer collapse and unfolding depending on side chain chemistry
Physical Chemistry Chemical Physics19 (28),18156-18161 (2017);
doi:10.1039/c7cp01743j
Free-energy barriers for crystal nucleation from fluid phases
Physical Review E96 (4), (2017);
doi:10.1103/physreve.96.042609
Frequency-dependent hydrodynamic interaction between two solid spheres
Physics of Fluids29 (12),126101 (2017);
doi:10.1063/1.5001565
Dynamic Density Functional Theories for Inhomogeneous Polymer Systems Compared to Brownian Dynamics Simulations
Macromolecules50 (24),9831-9845 (2017);
doi:10.1021/acs.macromol.7b02017
Fréchet differentiability of molecular distribution functions I. $$L^\infty $$ L ∞ analysis
Letters in Mathematical Physics108 (2),285-306 (2017);
doi:10.1007/s11005-017-1009-0
Anomalous critical slowdown at a first order phase transition in single polymer chains
The Journal of Chemical Physics147 (6),064902 (2017);
doi:10.1063/1.4997435
Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory
Soft Matter13 (43),7938-7947 (2017);
doi:10.1039/c7sm01749a
Communication: Is a coarse-grained model for water sufficient to compute Kapitza conductance on non-polar surfaces?
The Journal of Chemical Physics147 (15),151102 (2017);
URL: http://aip.scitation.org/doi/10.1063/1.5003199 doi:10.1063/1.5003199
Well-Posedness of the Iterative Boltzmann Inversion
Journal of Statistical Physics170 (3),536-553 (2017);
doi:10.1007/s10955-017-1944-2
An inverse problem in statistical mechanics
in Oberwolfach Reports,Editor:Gerhard Huisken,ChapterReport No. 08/2017,EMS,Zürich,Series:Oberwolfach Reports, Vol.14 (2017);
doi:10.4171/OWR/2017/8
Simulating copolymeric nanoparticle assembly in the co-solvent method: How mixing rates control final particle sizes and morphologies
Polymer126,9-18 (2017);
doi:10.1016/j.polymer.2017.07.057
Phase behavior of active Brownian disks, spheres, and dimers
Soft Matter13 (5),1020-1026 (2017);
doi:10.1039/c6sm02622b
An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid
Computer Physics Communications216,102-108 (2017);
doi:10.1016/j.cpc.2017.03.009
Force probe simulations of a reversibly rebinding system: Impact of pulling device stiffness
The Journal of Chemical Physics146 (12),124901 (2017);
doi:10.1063/1.4978678
Nonequilibrium Markov state modeling of the globule-stretch transition
Physical Review E95 (1), (2017);
doi:10.1103/physreve.95.012503
Role of Dynamic Heterogeneities in Ionic Liquids: Insights from All-Atom and Coarse-Grained Molecular Dynamics Simulation Studies
ChemPhysChem18 (16),2233-2242 (2017);
doi:10.1002/cphc.201700504
Thermodynamics of atomistic and coarse-grained models of water on nonpolar surfaces
The Journal of Chemical Physics147 (7),074702 (2017);
URL: http://dx.doi.org/10.1063/1.4999337 doi:10.1063/1.4999337
Numerical analysis of the Oseen-type Peterlin viscoelastic model by the stabilized Lagrange-Galerkin method, Part II: A linear scheme
Mathematical Modelling and Numerical Analysis , (2017);
doi:10.1051/m2an/2017032
Thermodynamic formalism for transport coefficients with an application to the shear modulus and shear viscosity
The Journal of Chemical Physics146 (12),124130 (2017);
doi:10.1063/1.4979124
Estimation of the critical behavior in an active colloidal system with Vicsek-like interactions
The Journal of Chemical Physics146 (7),074901 (2017);
doi:10.1063/1.4975812
The PCPDTBT Family: Correlations between Chemical Structure, Polymorphism, and Device Performance
Macromolecules50 (4),1402-1414 (2017);
doi:10.1021/acs.macromol.6b01698
Conformations and orientational ordering of semiflexible polymers in spherical confinement
The Journal of Chemical Physics146 (19),194907 (2017);
doi:10.1063/1.4983131
Role of the Intercrystalline Tie Chains Network in the Mechanical Response of Semicrystalline Polymers
Physical Review Letters118 (21), (2017);
doi:10.1103/physrevlett.118.217802
Iterative Reconstruction of Memory Kernels
Journal of Chemical Theory and Computation13 (6),2481-2488 (2017);
doi:10.1021/acs.jctc.7b00274
Asymptotic preserving IMEX finite volume schemes for low Mach number Euler equations with gravitation
J. Comput. Phys. 335,222-248 (2017);
doi:10.1016/j.jcp.2017.01.020
Global existence result for the generalized Peterlin viscoelastic model
SIAM J. Math. Anal.,1-14 (2017);
URL: https://www.siam.org/journals/sima.php
The electromagnetic nature of protein-protein interactions
in Conductive polymers: Electrical interactions in cell biology and medicine,Ze Zhang, Mahmoud Rouabhia, Simon E. Moulton, CRC Press (2017);
Energy-stable numerical schemes for multiscale simulations of polymer-solvent mixtures
in Mathematical Analysis of Contimuum Mechanics and Industrial Applications II ,Editor:Patrick van Meurs, Masato Kimura, Hirofumi Notsu,ChapterChap5: Interface Dynamics ,Pages1-12,Springer International Publishing AG/ Eds. Patrick van Meurs, Masato Kimura, Hirofumi Notsu (2017);
URL: https://link.springer.com/chapter/10.1007/978-981-10-6283-4_13
Reduced-order hybrid multiscale method combining the molecular dynamics and the discontinuous Galerkin method
VII International Conference on Computational Methods for Coupled Problems in Science and Engineering, Coupled Problems 2017,1-15. (2017);
URL: http://congress.cimne.com/coupled2017/frontal/default.asp
Self-Assembly of Polymeric Particles in Poiseuille Flow: A Hybrid Lattice Boltzmann/External Potential Dynamics Simulation Study
Macromolecules50 (11),4474-4490 (2017);
doi:10.1021/acs.macromol.6b02684
Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics
Soft Matter13 (8),1594-1623 (2017);
doi:10.1039/c6sm02252a
π+–π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces
Phys. Chem. Chem. Phys.19,2850 (2017);
URL: http://pubs.rsc.org/is/content/articlehtml/2016/cp/c6cp07034e
MERCURY: a Transparent Guided I/O Framework for High Performance I/O Stacks
in 25th Euromicro International Conference on Parallel, Distributed, and Network-Based Processing (PDP 2017),IEEE Press (2017);
Contact
- Scientific Coordinator of the TRR 146
- Niklas Litzenberger
- Staudingerweg 9
- D-55128 Mainz
- trr146aNob-RA@pwuni-mainz.de