1.5k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE168 papers
- Johannes Gutenberg University MainzDE62 papers
- Centre National de la Recherche ScientifiqueFR35 papers
- Bulgarian Academy of SciencesBG25 papers
- Swiss Federal Laboratories for Materials Science and TechnologyCH21 papers
- Monash UniversityAU19 papers
- University of BernCH19 papers
- University of SzczecinPL17 papers
- Technische Universität DarmstadtDE16 papers
- Technische Universität DresdenDE16 papers
- Institute of Physical ChemistryPL15 papers
- Goethe University FrankfurtDE13 papers
16 papers · 1 filter
Adaptive Resolution Simulation of Liquid Water
Matej Praprotnik, Luigi Delle Site, Kurt Kremer +2
We present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom rep…
A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers
Vagelis A. Harmandaris, Markus Deserno
The tensile force along a cylindrical lipid bilayer tube is proportional to the membrane's bending modulus and inversely proportional to the tube radius. We show that this relation…
Field - Driven Translocation of Regular Block Copolymers through a Selective Liquid - Liquid Interface
A. Corsi, A. Milchev, V. G. Rostiashvili +1
We propose a simple scaling theory describing the variation of the mean first passage time (MFPT) of a regular block copolymer of chain length and block size which…
Photonic mode density effects on single-molecule fluorescence blinking
F. D. Stefani, K. Vasilev, N. Bocchio +3
We investigated the influence of the photonic mode density (PMD) on the triplet dynamics of individual chromophores on a dielectric interface by comparing their response in the pre…
Finite Size Polyelectrolyte Bundles at Thermodynamic Equilibrium
Mehmet Sayar, Christian Holm
We present the results of extensive computer simulations performed on solutions of monodisperse charged rod-like polyelectrolytes in the presence of trivalent counterions. To overc…
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
I. P. Hamilton, Ricardo A. Mosna, L. Delle Site
We employ a recently formulated dequantization procedure to obtain an exact expression for the kinetic energy which is applicable to all kinetic-energy functionals. We express the…
Adaptive molecular resolution via a continuous change of the phase space dimensionality
Matej Praprotnik, Kurt Kremer, Luigi Delle Site
For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To o…
Hyperdynamics for entropic systems: time-space compression and pair correlation function approximation
Xin Zhou, Yi Jiang, Kurt Kremer +2
We develop a generalized hyperdynamics method, which is able to simulate slow dynamics in atomistic general (both energy and entropy-dominated) systems. We show that a few function…
A path integral approach to the dynamics of random chains
Franco Ferrari, Jaroslaw Paturej, Thomas A. Vilgis
In this work the dynamics of a freely jointed random chain with small masses attached to the joints is studied from a microscopic point of view. The chain is treated using a string…
Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
Denis Andrienko, Valentina Marcon, Kurt Kremer
Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations b…
Structure of Polymer Brushes in Cylindrical Tubes: A Molecular Dynamics Simulation
Dimitar I. Dimitrov, Andrey Milchev, Kurt Binder +1
Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain leng…
Colloidal particles at a nematic-isotropic interface: effects of confinement
J. L. West, K. Zhang, A. Glushchenko +3
When captured by a flat nematic-isotropic interface, colloidal particles can be dragged by it. As a result spatially periodic structures may appear, with the period depending on a…
Kinetics of copolymer localization at a selective liquid-liquid interface
A. Corsi, A. Milchev, V. G. Rostiashvili +1
The localization kinetics of a regular block-copolymer of total length and block size at a selective liquid-liquid interface is studied in the limit of strong segregation b…
How to determine local elastic properties of lipid bilayer membranes from atomic-force-microscope measurements: A theoretical analysis
Davood Norouzi, Martin Michael Mueller, Markus Deserno
Measurements with an atomic force microscope (AFM) offer a direct way to probe elastic properties of lipid bilayer membranes locally: provided the underlying stress-strain relation…
Aggregates of rod-coil diblock copolymers adsorbed at a surface
C. Nowak, T. A. Vilgis
The behaviour of rod-coil diblock copolymers close to a surface is discussed by using extended scaling methods. The copolymers are immersed in selective solvent such that the rods…
Electrophoresis of colloidal dispersions in the low-salt regime
Vladimir Lobaskin, Burkhard Duenweg, Martin Medebach +2
We study the electrophoretic mobility of spherical charged colloids in a low-salt suspension as a function of the colloidal concentration. Using an effective particle charge and a…