output
20022009
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

1,012 papers

math.CO2009

On two generalizations of the Alon-Tarsi polynomial method

Dan Hefetz

In a seminal paper, Alon and Tarsi have introduced an algebraic technique for proving upper bounds on the choice number of graphs (and thus, in particular, upper bounds on their ch…

cond-mat.soft200923 cited

Microstructures and Mechanical Properties of Dense Particle Gels: Microstructural Characterization

Iwan Schenker, Frank T. Filser, Tomaso Aste +1

The macroscopic mechanical properties of densely packed coagulated colloidal particle gels strongly depend on the local arrangement of the powder particles on length scales of a fe…

cond-mat.soft200937 cited

Quantification of the Heterogeneity of Particle Packings

Iwan Schenker, Frank T. Filser, Tomaso Aste +2

The microstructure of coagulated colloidal particles, for which the inter-particle potential is described by the DLVO theory, is strongly influenced by the particles' surface poten…

cond-mat.soft200916 cited

Generation of Porous Particle Structures using the Void Expansion Method

Iwan Schenker, Frank T. Filser, Hans J. Herrmann +1

The newly developed "void expansion method" allows for an efficient generation of porous packings of spherical particles over a wide range of volume fractions using the discrete el…

cond-mat.soft20092 cited

Multiscale Modeling and Coarse Graining of Polymer Dynamics: Simulations Guided by Statistical Beyond-Equilibrium Thermodynamics

Patrick Ilg, Vlasis Mavrantzas, Hans Christian Öttinger

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium stat…

cond-mat.soft200914 cited

Collapsing granular suspensions

D. Kadau, J. S. Andrade, H. J. Herrmann

A 2D contact dynamics model is proposed as a microscopic description of a collapsing suspension/soil to capture the essential physical processes underlying the dynamics of generati…