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NAVIGATION
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Molecular Simulation of Nanocomposites and Functionalised Surfaces
Florian Müller-Plathe - Techinsche Universitaet Darmstadt, Theoretical Physical Chemistry
Content
1. Introduction: Why simulation in nanoscience?
2. Methods
a. Molecular simulation – fundamentals
b. Coarse-grained models and multiscale simulation
c. Transport properties and non-equilibrium molecular dynamics
d. Calculation of surface properties
3. Simulation of polymer nanocomposites: structure and dynamics at the molecular level
4. Polymer-solid interfaces and interphases in nanocomposites and thin films
5. Thermal transport in carbon nanotubes and carbon-nanotube-composites
6. Simulation of nanostructured and polymer-functionalised surfaces
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