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
17 papers · 1 filter
Hamiltonian adaptive resolution simulation for molecular liquids
Raffaello Potestio, Sebastian Fritsch, Pep Espanol +4
Adaptive resolution schemes allow the simulation of a molecular fluid treating simultaneously different subregions of the system at different levels of resolution. In this work we…
Dynamic Compression of in situ Grown Living Polymer Brush: Simulation and Experiment
K. Jalili, F. Abbasi, A. Milchev
A comparative dynamic Monte Carlo simulation study of polydisperse living polymer brushes, created by surface initiated living polymerization, and conventional polymer monodisperse…
Driven translocation of a polymer: fluctuations at work
J. L. A. Dubbeldam, V. G. Rostiashvili, A. Milchev +1
The impact of thermal fluctuations on the translocation dynamics of a polymer chain driven through a narrow pore has been investigated theoretically and by means of extensive Molec…
Autocatalytic and cooperatively-stabilized dissociation of water on a stepped platinum surface
Davide Donadio, Luca M. Ghiringhelli, Luigi Delle Site
Water-metal interfaces are ubiquitous and play a key role in many chemical processes, from catalysis to corrosion. Whereas water adlayers on atomically flat transition metal surfac…
Photo-excitation Cascade and Multiple Carrier Generation in Graphene
K. J. Tielrooij, J. C. W. Song, S. A. Jensen +6
The conversion of light into free electron-hole pairs constitutes the key process in the fields of photodetection and photovoltaics. The efficiency of this process depends on the c…
Unexpected crossover dynamics of single polymer in a corrugated tube
A. De Virgiliis, L. Kuban, J. Paturej +1
We present molecular dynamics study of a generic (coarse-grained) model for single-polymer diffusion confined in a corrugated cylinder. For a narrow tube, i.e., diameter of the cyl…
One- and two-dimensional reductions of the mean-field description of degenerate Fermi gases
Pablo Díaz, David Laroze, Iván Schmidt +1
We study collective behavior of Fermi gases trapped in various external potentials, including optical lattices (OLs), in the framework of the mean-field (hydrodynamic) description.…
Atomistic simulations of heat transport in real-scale silicon nanowire devices
Ivan Duchemin, Davide Donadio
Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched betw…
Numerical electrokinetics
R. Schmitz, B. Duenweg
A new lattice method is presented in order to efficiently solve the electrokinetic equations, which describe the structure and dynamics of the charge cloud and the flow field surro…
Dynamic crossover scaling in polymer solutions
Aashish Jain, B. Duenweg, J. Ravi Prakash
The crossover region in the phase diagram of polymer solutions, in the regime above the overlap concentration, is explored by Brownian Dynamics simulations, to map out the universa…
The smoothness of the interstellar extinction curve in the UV. Comparison with recent laboratory measurements of PAH mixtures
Mathias Steglich, Yvain Carpentier, Cornelia Jäger +3
Context. As revealed by high-resolution spectral investigations in the wavelength range between 300 and 400 nm, the interstellar extinction curve does not display any of the sharp…
Restructuring of colloidal aggregates in shear flow: Coupling interparticle contact models with Stokesian dynamics
Ryohei Seto, Robert Botet, Günter K. Auernhammer +1
A method to couple interparticle contact models with Stokesian dynamics (SD) is introduced to simulate colloidal aggregates under flow conditions. The contact model mimics both the…
Polymer Detachment Kinetics from Adsorbing Surface: Theory, Simulation and Similarity to Infiltration into Porous Medium
J. Paturej, A. Milchev, V. G. Rostiashvili +1
The force-assisted desorption kinetics of a macromolecule from adhesive surface is studied theoretically, using the notion of tensile (Pincus) blobs, as well as by means of Monte-C…
Optimisation of a Brownian dynamics algorithm for semidilute polymer solutions
Aashish Jain, P. Sunthar, B. Dünweg +1
Simulating the static and dynamic properties of semidilute polymer solutions with Brownian dynamics (BD) requires the computation of a large system of polymer chains coupled to one…
Self-phase modulation of a single-cycle terahertz pulse by nonlinear free-carrier response in a semiconductor
Dmitry Turchinovich, Jørn M. Hvam, Matthias C. Hoffmann
We demonstrate the self-phase modulation (SPM) of a single-cycle THz pulse in a semiconductor, using bulk n-GaAs as a model system. The SPM arises from the heating of free electron…
Collective motion of binary self-propelled particle mixtures
Andreas M. Menzel
In this study, we investigate the phenomenon of collective motion in binary mixtures of self-propelled particles. We consider two particle species, each of which consisting of poin…
Tension enhancement in branched macromolecules upon adhesion on a solid substrate
J. Paturej, L. Kuban, A. Milchev +1
The effect of self-generated tension in the backbone of a bottle-brush (BB) macromolecule, adsorbed on an attractive surface, is studied by means of Molecular Dynamics simulations…