HYBRID MD-FE SIMULATIONS OF POLYMER NANOCOMPOSITES AND CG-MD SIMULATIONS OF POLYMERS

CoordinatorMüller-Plathe, Florian
Grant period2014-05-01 - 2015-04-30
Funding bodyNIC
IdentifierG:(DE-Juel1)hhb02_20140501

MOLECULAR DYNAMICS SIMULATIONS OF THE WETTING PROPERTIES OF SOLID SURFACES   THERMODYNAMICS OF POLYMER-METAL INTERFACES BY MOLECULAR DYNAMICS SIMULATIONS

Note: JSC computation time grant
 

Recent Publications

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Robustness of a new molecular dynamics–finite element coupling approach for soft matter systems analyzed by uncertainty quantification
The journal of chemical physics 142(10), 104105 - () [10.1063/1.4914020] BibTeX | EndNote: XML, Text | RIS

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Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid–Liquid Interfaces
Langmuir 31(30), 8335 - 8345 () [10.1021/acs.langmuir.5b01394] BibTeX | EndNote: XML, Text | RIS

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Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
The journal of physical chemistry <Washington, DC> / C 119(51), 28470 - 28481 () [10.1021/acs.jpcc.5b10267] BibTeX | EndNote: XML, Text | RIS

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Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method
The journal of chemical physics 143(24), 243135 - () [10.1063/1.4936253] BibTeX | EndNote: XML, Text | RIS

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 Datensatz erzeugt am 2016-09-21, letzte Änderung am 2017-09-14



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