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E1.08 - Atomistic Modeling of Colloidal Nanoparticles with Active Ligands: Solvation, Electroactivity, pH-Activity, and Bio-Activity 
December 1, 2014   11:15am - 11:30am

We present our recent collaborative studies of colloidal nanoparticles with active ligands that can control the nanoparticle behavior. In particular, we show that 1) nanoparticles of different sizes can have different solvation properties, 2) self-assembly and positioning of nanoparticles at the interfaces of different ionic solvents can be controlled by electric fields, 3) pH can control the self-assembly of nanoparticles into exotic superstructures, and 4) ligands can determine the biological responses or nanoparticles. We use atomistic molecular dynamics simulations to capture the unique characteristics of these novel systems and explain their properties through the physical, chemical, and biological processes taking part at their ligands.

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