Theory and Simulation of Patchy Particles |
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Materials:
Nanomaterials
Application: Nanotechnology Structural Electronic Energy Biomedical Technique: Computation |
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We are carrying out an exploratory investigation of the effectiveness of different molecular and mesoscale simulation methodologies for simulating self-assembly of arrays of nanoparticles functionalized by biomolecules. The highly specific, “lock-and-key” recognitive interaction capability of biomolecules like DNA, proteins, and antibodies makes them ideal for directing the assembly of gold nanoparticles, quantum dots, Buckyballs, nanorods, and other nano building blocks into higher order structures needed for applications such as sensors, catalysts, photonics, molecular electronics, and materials design. |