List of works by Martin Kröger

3D Conformations of Thick Synthetic Polymer Chains Observed by Cryogenic Electron Microscopy

scientific article published on 08 March 2019

A Detailed Examination of the Topological Constraints of Lamellae-Forming Block Copolymers

A Two-Dimensional Polymer Synthesized at the Air/Water Interface

scholarly article by Vivian Müller et al published 28 June 2018 in Angewandte Chemie International Edition

A new approach for the production of 2,5-furandicarboxylic acid by in situ oxidation of 5-hydroxymethylfurfural starting from fructose

A novel algorithm to optimize classification trees

article published in 1996

A predictive multiscale computational framework for viscoelastic properties of linear polymers

A program to compute the angular coefficients of the relativistic one-electron hyperfine structure parameters

A theoretical evaluation of the effects of carbon nanotube entanglement and bundling on the structural and mechanical properties of buckypaper

scholarly article in Carbon, vol. 50 no. 5, April 2012

A thermodynamically admissible reptation model for fast flows of entangled polymers. II. Model predictions for shear and extensional flows

article

Adsorption of core-shell nanoparticles at liquid–liquid interfaces

Aggregation of polyethylene glycol polymers suppresses receptor-mediated endocytosis of PEGylated liposomes

scientific article published on 20 February 2018

An extended FENE dumbbell model theory for concentration dependent shear-induced anisotropy in dilute polymer solutions: addenda

Analytical Modeling of the Temporal Evolution of Epidemics Outbreaks Accounting for Vaccinations

scientific article published on 26 May 2021

Analytical solution of the SIR-model for the temporal evolution of epidemics: part B. Semi-time case

scientific article published on 10 March 2021

Anisotropic self-diffusion in ferrofluids studied via Brownian dynamics simulations.

scientific article published on 13 September 2005

Anisotropy of the magnetoviscous effect in ferrofluids

scientific article published on 26 May 2005

Application of full flow field reconstruction to a viscoelastic liquid in a 2D cross-slot channel

scholarly article by Monirosadat Sadati et al published February 2013 in Journal of Non-Newtonian Fluid Mechanics

Assessing numerical methods for molecular and particle simulation

scientific article

Assessment of the Tumbling-Snake Model against Linear and Nonlinear Rheological Data of Bidisperse Polymer Blends

scientific article published on 20 February 2019

Atomistic Modeling of Plastic Deformation in Semicrystalline Polyethylene: Role of Interphase Topology, Entanglements, and Chain Dynamics

Automated symbolic calculations in nonequilibrium thermodynamics

scientific article (publication date: December 2010)

Beyond-equilibrium molecular dynamics of a rarefied gas subjected to shear flow

article

Boltzmann equation and hydrodynamic fluctuations.

scientific article published on 10 November 2009

Boundaries steer the contraction of active gels

scientific article published on 14 October 2016

Branching Defects in Dendritic Molecules: Coupling Efficiency and Congestion Effects

Can one determine the density of an individual synthetic macromolecule?

scientific article published on 30 July 2019

Canonical distribution functions in polymer dynamics. (II). Liquid-crystalline polymers

article

Carbon Nanotube Length Governs the Viscoelasticity and Permeability of Buckypaper

scientific article published on 23 March 2017

Challenges in Multiscale Modeling of Polymer Dynamics

article

Chaotic orientational behavior of a nematic liquid crystal subjected to a steady shear flow.

scientific article published on 29 October 2002

Colloid-Brush Interactions: The Effect of Solvent Quality

Combined Experimental and Simulation Studies of Cross-Linked Polymer Brushes under Shear

scientific article published on 12 December 2018

Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance.

scientific article

Communication: Appearance of undershoots in start-up shear: Experimental findings captured by tumbling-snake dynamics

scientific article published on April 2017

Computational study on entanglement length and pore size of carbon nanotube buckypaper

Computer Simulation of Fifth Generation Dendronized Polymers: Impact of Charge on Internal Organization

scientific article published on 06 May 2013

Computer simulation of dendronized polymers: organization and characterization at the atomistic level

scholarly article in RSC Advances, vol. 3 no. 1, 2013

Consistent closure schemes for statistical models of anisotropic fluids

article published in 2008

Covid-19 predictions using a Gauss model, based on data from April 2

scientific article published on 11 April 2020

Crossover between short- and long-time behavior of stress fluctuations and viscoelasticity of liquids

scientific article published on 28 April 2003

Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

article

Dendronized Polymers: Molecular Objects between Conventional Linear Polymers and Colloidal Particles

Derivation of Frank-Ericksen elastic coefficients for polydomain nematics from mean-field molecular theory for anisotropic particles

scientific article published on 01 July 2007

Detailed atomistic molecular dynamics simulations of alpha-conotoxin AuIB in water.

scientific article published in April 2009

Developments in Polymer Theory and Simulation

scientific article published on 23 December 2019

Direct Observation of the Dynamics of Semiflexible Polymers in Shear Flow

scientific article published in Physical Review Letters

Drag on a spherical particle at the air–liquid interface: Interplay between compressibility, Marangoni flow, and surface viscosities

scientific article published in June 2021

Dynamic structure of unentangled polymer chains in the vicinity of non-attractive nanoparticles

scientific article published on 01 March 2014

Dynamics and Wetting Behavior of Core-Shell Soft Particles at a Fluid-Fluid Interface

scientific article published on 03 December 2018

Dynamics of Branched Polymer Melts in Complex Kinematics Flows: A Computational∕Experimental Study

Dynamics of colloidal suspensions of ferromagnetic particles in plane Couette flow: comparison of approximate solutions with Brownian dynamics simulations.

scientific article published on 11 June 2003

Dynamics of interacting magnetic nanoparticles: effective behavior from competition between Brownian and Néel relaxation

scientific article published on 01 October 2020

Effect of Crosslinking on the Microtribological Behavior of Model Polymer Brushes

article

Effect of charge, hydrophobicity, and sequence of nucleoporins on the translocation of model particles through the nuclear pore complex

scientific article published on 12 February 2013

Effect of network topology on phase separation in two-dimensional Lennard-Jones networks

scientific article published on 06 April 2009

Effect of polymer solvent on the mechanical properties of entangled polymer gels: Coarse-grained molecular simulation

Efficient generation of self-avoiding, semiflexible rotational isomeric chain ensembles in bulk, in confined geometries, and on surfaces

scientific article published in 2022

Efficient hybrid algorithm for the dynamic creation of wormlike chains in solutions, brushes, melts and glasses

Endocytosis of PEGylated nanoparticles accompanied by structural and free energy changes of the grafted polyethylene glycol

scientific article

Entanglement Recognition in Polymers

Entanglements and Crystallization of Concentrated Polymer Solutions: Molecular Dynamics Simulations

article

Entanglements and Dynamics of Polymer Melts near a SWCNT

article

Erratum to “A program to compute the angular coefficients of the relativistic one-electron hyperfine structure parameters” [Comput. Phys. Commun. 90 (1995) 381–387]

scholarly article published in Computer Physics Communications

Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings

article published in 2012

Exact linear hydrodynamics from the Boltzmann equation.

scientific article published on 29 May 2008

Fast equilibration protocol for million atom systems of highly entangled linear polyethylene chains

scientific article published on April 2016

Fibers with integrated mechanochemical switches: minimalistic design principles derived from fibronectin

scientific article

Flow Effects on Melt Structure and Entanglement Network of Linear Polymers: Results from a Nonequilibrium Molecular Dynamics Simulation Study of a Polyethylene Melt in Steady Shear

article

Flow-alignment and rheology of polymer melts: Computation of the single-link orientational distribution function

Formation of double helical and filamentous structures in models of physical and chemical gels

article

From Dendrimers to Dendronized Polymers and Forests: Scaling Theory and its Limitations

From atomistic simulation to the dynamics, structure and helical network formation of dendronized polymers: The Janus chain model

article

From hyperbolic regularization to exact hydrodynamics for linearized Grad's equations.

scientific article published on 25 May 2007

From intermediate anisotropic to isotropic friction at large strain rates to account for viscosity thickening in polymer solutions

scientific article published on 01 May 2018

Gas-liquid phase equilibrium of a model Langmuir monolayer captured by a multiscale approach

Hard vs soft constraints in the full field reconstruction of incompressible flow kinematics from noisy scattered velocimetry data

Height and Width of Adsorbed Dendronized Polymers: Electron and Atomic Force Microscopy of Homologous Series

article by Baozhong Zhang et al published 13 September 2011 in Macromolecules

Hyperbolicity of exact hydrodynamics for three-dimensional linearized Grad's equations.

scientific article published on 9 August 2007

Ideal contribution to the macroscopic quasiequilibrium entropy of anisotropic fluids

scientific article published on 29 June 2011

Influence of Chain Stiffness, Grafting Density and Normal Load on the Tribological and Structural Behavior of Polymer Brushes: A Nonequilibrium-Molecular-Dynamics Study

scientific article published on 08 July 2016

Influence of Nanorod Inclusions on Structure and Primitive Path Network of Polymer Nanocomposites at Equilibrium and Under Deformation

article

Influence of molecular architecture on the entanglement network: topological analysis of linear, long- and short-chain branched polyethylene melts via Monte Carlo simulations

scientific article published on 21 March 2016

Insights from modeling into structure, entanglements, and dynamics in attractive polymer nanocomposites

scientific article published on 01 July 2021

Interactions in dendronized polymers: intramolecular dominates intermolecular

article

Internal organization of macromonomers and dendronized polymers based on thiophene dendrons

scientific article published on 01 February 2015

Interplay between ligand mobility and nanoparticle geometry during cellular uptake of PEGylated liposomes and bicelles

scientific article published on 01 August 2019

Linear Viscoelastic Behavior of Unentangled Polymer Melts via Non-Equilibrium Molecular Dynamics

article

Magnetization dynamics, rheology, and an effective description of ferromagnetic units in dilute suspension.

scientific article published on 9 August 2002

Magnetoviscosity and orientational order parameters of dilute ferrofluids

Magnetoviscosity of semidilute ferrofluids and the role of dipolar interactions: Comparison of molecular simulations and dynamical mean-field theory

scientific article published on 22 March 2005

Micro/mesoscopic approaches to the ring formation in linear wormlike micellar systems

Microscopic Origin of the Non-Newtonian Viscosity of Semiflexible Polymer Solutions in the Semidilute Regime

Microscopic structure, dynamics, and wear at metal-metal interfaces in sliding contact.

scientific article published on 27 December 2004

Miscibility and Nanoparticle Diffusion in Ionic Nanocomposites

scientific article published on 10 September 2018

Model of Microphase Separation in Two-Dimensional Gels

article

Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica

Modeling of Entangled Polymer Diffusion in Melts and Nanocomposites: A Review

scientific article published on 14 May 2019

Modeling of Polymer Structure and Conformations in Polymer Nanocomposites from Atomistic to Mesoscale: A Review

article

Modelling and confocal microscopy of biopolymer mixtures in confined geometries

Molecular dynamics of model liquid crystals composed of semiflexible molecules

article

Molecular dynamics simulations of polymer crystallization under confinement: Entanglement effect

article

Molecular simulation guided constitutive modeling on finite strain viscoelasticity of elastomers

article

Molecularly derived constitutive equation for low-molecular polymer melts from thermodynamically guided simulation

Morphology Control of Hairy Nanopores

scientific article published on 04 May 2011

Multi-Hamiltonian structure of the epidemics model accounting for vaccinations and a suitable test for the accuracy of its numerical solvers

scientific article published on 22 April 2022

Nanoparticle Effect on the Dynamics of Polymer Chains and Their Entanglement Network

scientific article published in Physical Review Letters

Nanoparticle Geometrical Effect on Structure, Dynamics and Anisotropic Viscosity of Polyethylene Nanocomposites

article

Non-constant link tension coefficient in the tumbling-snake model subjected to simple shear

scientific article

Nonaffine Deformation of Inherent Structure as a Static Signature of Cooperativity in Supercooled Liquids

scientific article published in Physical Review Letters

On a quantity describing the degree of chain entanglement in linear polymer systems

article by Martin Kröger et al published July 1994 in Macromolecular Theory and Simulations

Optimization of classification trees: strategy and algorithm improvement

Phase behavior and structure of Janus fluids

scientific article published on 29 April 2003

Phoretic forces on convex particles from kinetic theory and nonequilibrium thermodynamics

scientific article

Poly(N-isopropylacrylamide) Phase Diagrams: Fifty Years of Research

scientific article

Polymer Brushes under Shear: Molecular Dynamics Simulations Compared to Experiments

scientific article published on 16 April 2015

Polymer Conformations, Entanglements and Dynamics in Ionic Nanocomposites: A Molecular Dynamics Study

scientific article published on 04 November 2020

Polymer stiffness governs template mediated self-assembly of liposome-like nanoparticles: simulation, theory and experiment

scientific article published on 16 October 2019

Pressure of fluids and solids composed of particles interacting with a short-range repulsive potential

scientific article published in April 2000

Pressure, dynamics, and structure of a simple particle system confined in a soft nanopore

Primitive Path Identification and Entanglement Statistics in Polymer Melts: Results from Direct Topological Analysis on Atomistic Polyethylene Models

article

Primitive Path Networks Generated by Annealing and Geometrical Methods: Insights into Differences

Primitive chain network study on uncrosslinked and crosslinked cis-polyisoprene polymers

Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

article published in 2014

Projection from an atomistic chain contour to its primitive path

Pulling-force-induced elongation and alignment effects on entanglement and knotting characteristics of linear polymers in a melt

scientific article published on 23 October 2014

Pushing Synthesis toward the Maximum Generation Range of Dendritic Macromolecules

scholarly article by Daniel Messmer et al published 13 July 2018 in Macromolecules

Quantifying chain reptation in entangled polymer melts: topological and dynamical mapping of atomistic simulation results onto the tube model

scientific article

Random packing of model polymers: local structure, topological hindrance and universal scaling

article

Recognition and analysis of local structure in polycrystalline configurations

article

Relaxation Behavior and Nonlinear Surface Rheology of PEO-PPO-PEO Triblock Copolymers at the Air-Water Interface

scientific article published on 22 October 2019

Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics

scientific article published in July 2000

Rheology and Packing of Dendronized Polymers

Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics

article

Rotation and Deformation of a Finitely Extendable Flexible Polymer Molecule in a Steady Shear Flow

Rubik Cylinder Model for Dendronized Polymers

article

Self-Folding of Charged Single Dendronized Polymers

Self-assembled core-polyethylene glycol-lipid shell nanoparticles demonstrate high stability in shear flow

scientific article published on 11 May 2017

Self-assembly of core-polyethylene glycol-lipid shell (CPLS) nanoparticles and their potential as drug delivery vehicles

scientific article published on 25 July 2016

Shape effect in cellular uptake of PEGylated nanoparticles: comparison between sphere, rod, cube and disk.

scientific article published on 23 July 2015

Shear modulus of fluids and solids

article

Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems

article

Siloxane Molecules: Nonlinear Elastic Behavior and Fracture Characteristics

Simple, admissible, and accurate approximants of the inverse Langevin and Brillouin functions, relevant for strong polymer deformations and flows

scholarly article by Martin Kröger published September 2015 in Journal of Non-Newtonian Fluid Mechanics

Size of Graphene Sheets Determines The Structural and Mechanical Properties of 3D Graphene Foams

scientific article published on 9 January 2018

Smooth full field reconstruction of velocity and its gradients from noisy scattered velocimetry data in a cross-slot flow

Solution of the complete Curtiss-Bird model for polymeric liquids subjected to simple shear flow

scientific article published on March 2016

Structural changes and viscoplastic behavior of a generic embedded-atom model metal in steady shear flow

article

Structure Elucidation of 2D Polymer Monolayers Based on Crystallization Estimates Derived from Tip-Enhanced Raman Spectroscopy (TERS) Polymerization Conversion Data

scientific article published on 17 June 2019

Structure and rheology of model-ferrofluids under shear flow

article

Symbolic computation of the phoretic acceleration of convex particles suspended in a non-uniform gas

Symbolic test of the Jacobi identity for given generalized ‘Poisson’ bracket

Synthetic regimes due to packing constraints in dendritic molecules confirmed by labelling experiments

scientific article published in January 2013

Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts.

scientific article published on 14 January 2009

Ternary Protein Adsorption onto Brushes: Strong versus Weak

scientific article published on 01 October 2009

The Largest Synthetic Structure with Molecular Precision: Towards a Molecular Object

article published in 2010

The effect of polymer chain length on the mechanical properties of triblock copolymer gels

The hybrid BDDFS method: memory saving approach for CONNFFESSIT-type simulations

The largest synthetic structure with molecular precision: towards a molecular object

scientific article

Theoretical considerations on mechanisms of harvesting cells cultured on thermoresponsive polymer brushes

scientific article published on 12 April 2012

Thermomechanical properties of the WCA–Lennard-Jones model system in its fluid and solid states

article

Thermophysical properties of gases, liquids, and solids composed of particles interacting with a short-range attractive potential.

scientific article published on 8 June 2001

Thermoresponsive Cell Culture Substrates Based on PNIPAM Brushes Functionalized with Adhesion Peptides: Theoretical Considerations of Mechanism and Design

article

Top Cited 2018-2019 Papers in the Section "Polymer Theory and Simulation"

scientific article published on 24 December 2020

Topological analysis of polymeric melts: chain-length effects and fast-converging estimators for entanglement length

scientific article

Tumbling-Snake Model for Polymeric Liquids Subjected to Biaxial Elongational Flows with a Focus on Planar Elongation

scientific article published on 16 March 2018

Tumbling-Snake Model for Polymeric Liquids Subjected to Biaxial Elongational Flows with a Focus on Planar Elongation

Tuning Polymer Thickness: Synthesis and Scaling Theory of Homologous Series of Dendronized Polymers

scientific article published in 2009

Understanding Dynamics in Binary Mixtures of Entangledcis-1,4-Polybutadiene Melts at the Level of Primitive Path Segments by Mapping Atomistic Simulation Data onto the Tube Model

article

Unifying kinetic approach to phoretic forces and torques onto moving and rotating convex particles.

scientific article published in July 2006

Universal Scaling, Entanglements, and Knots of Model Chain Molecules

scientific article published in Physical Review Letters

Unraveling two-dimensional polymerization in the single crystal

article published in 2018

Using Mesoscopic Models to Design Strong and Tough Biomimetic Polymer Networks

article

Viscoelasticity of carbon nanotube buckypaper: zipping–unzipping mechanism and entanglement effects

Viscoelasticity of polymeric melts and concentrated solutions. The effect of flow-induced alignment of chain ends

Viscosities of Nematic and Discotic Nematic Liquid Crystals According to the Affine Transformation Model

article

What causes the anomalous aggregation in pluronic aqueous solutions?

Wormlike micelles under shear flow: A microscopic model studied by nonequilibrium-molecular-dynamics computer simulations

article

Writhe and mutual entanglement combine to give the entanglement length.

scientific article published on 30 December 2013

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