density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1
From the 1 of 223 papers with an AI index.
29.3k citations
- Los Alamos National LaboratoryUS48 papers
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- United States Naval Research LaboratoryUS15 papers
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- Instituto de Física TeóricaES13 papers
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Showing 2020 · cond-mat.softShow all
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cond-mat.soft2020★ 26 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.soft2020★ 35 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…