output
19932026
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

Showing 2010 · cond-mat.softShow all

8 papers · 2 filters

cond-mat.soft2010★ 14 cited

Tube width fluctuations of entangled stiff polymers

Jens Glaser, Klaus Kroy

The tube-like cages of stiff polymers in entangled solutions have been shown to exhibit characteristic spatial heterogeneities. We explain these observations by a systematic theory…

cond-mat.soft2010★ 22 cited

Entropy-driven enhanced self-diffusion in confined reentrant supernematics

Marco G. Mazza, Manuel Greschek, Rustem Valiullin +2

We present a molecular dynamics study of reentrant nematic phases using the Gay-Berne-Kihara model of a liquid crystal in nanoconfinement. At densities above those characteristic o…

cond-mat.soft2010★ 56 cited

Shape anisotropy of polymers in disordered environment

Viktoria Blavatska, Wolfhard Janke

We study the influence of structural obstacles in a disordered environment on the size and shape characteristics of long flexible polymer macromolecules. We use the model of self-a…

cond-mat.soft2010★ 2 cited

Theta-polymers in crowded media under the stretching force

Viktoria Blavatska, Wolfhard Janke

We study the peculiarities of stretching of globular polymer macromolecules in a disordered (crowded) environment, using the model of self-attracting self-avoiding walks on site-di…

cond-mat.soft2010★ 60 cited

Elastic Lennard-Jones Polymers Meet Clusters -- Differences and Similarities

Stefan Schnabel, Michael Bachmann, Wolfhard Janke

We investigate solid-solid and solid-liquid transitions of elastic flexible off-lattice polymers with Lennard-Jones monomer-monomer interaction and anharmonic springs by means of s…

cond-mat.soft2010★ 59 cited

Inelastic mechanics of sticky biopolymer networks

Lars Wolff, Pablo Fernandez, Klaus Kroy

We propose a physical model for the nonlinear inelastic mechanics of sticky biopolymer networks with potential applications to inelastic cell mechanics. It consists in a minimal ex…