Self-Organization and Molecular Dynamics (MD)
Applied self-assembly monolayer (SOM) and micro-contact printing is a project co-collaboration with a colleague at the University of Limerick, Dr. Damien Thompson. This ongoing collaboration has resulted in MD simulations of molecular diffusion in liquid, guest:host interactions of β-cyclodextrin molecular circuit boards, and thiol diffusion on SOMs and defective SOMs for ink diffusion.
Publikationer:
- Molecular dynamics study of naturally occurring defects in self-assembled monolayer formation
- Monolayer packing, dehydration, and ink-binding dynamics at the molecular
- Quantification of ink diffusion in microcontact printing with self-assembled monolayers
- Modelling ink spreading on self-assembled monolayers for nanopatterning applications
- Modeling competitive guest binding to β-cyclodextrin molecular printboards
- Interdigitating organic bilayers direct the short interlayer spacing in hybrid organic-inorganic layered vanadium oxide nanostructures
- Guanidinium chloride molecular diffusion in aqueous and mixed water-ethanol solutions
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