works on

From the 1 of 114 papers with an AI index.

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20022025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing cond-mat.softShow all

9 papers · 1 filter

cond-mat.soft2024

Unifying atoms and colloids near the glass transition through bond-order topology

Laura Stricker, Peter M. Derlet, Ahmet Faik Demirörs +2

In this combined experimental and simulation study, we utilize bond-order topology to quantitatively match particle volume fraction in mechanically uniformly compressed colloidal s…

cond-mat.soft202026 cited

Frequency-dependent magnetic susceptibility of magnetic nanoparticles in a polymer solution: a simulation study

Patrick Kreissl, Christian Holm, Rudolf Weeber

Magnetic composite materials i.e. elastomers, polymer gels, or polymer solutions with embedded magnetic nanoparticles are useful for many technical and bio-medical applications. Ho…

cond-mat.soft202035 cited

Tuning the Selective Permeability of Polydisperse Polymer Networks

Won Kyu Kim, Richard Chudoba, Sebastian Milster +3

We study the permeability and selectivity (`permselectivity') of model membranes made of polydisperse polymer networks for molecular penetrant transport, using coarse-grained, impl…

cond-mat.soft20196 cited

Large scale three dimensional simulations of hybrid block copolymer/nanoparticle systems

Javier Diaz, Marco Pinna, Andrei V. Zvelindovsky +1

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological change…

cond-mat.soft201915 cited

Local symmetry determines the phases of linear chains: a simple model for the self-assembly of peptide

Tatjana Skrbic, Trinh X. Hoang, Amos Maritan +2

We discuss the relation between the emergence of new phases with broken symmetry within the framework of simple models of biopolymers. We start with a classic model for a chain mol…

cond-mat.soft201916 cited

Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networks

Sebastian Milster, Richard Chudoba, Matej Kanduč +1

The selective solute partitioning within a polymeric network is of key importance to applications in which controlled release or uptake of solutes in a responsive hydrogel is requi…