Modeling and Simulation of Anisotropic Nanostructures

Nanoparticles and their clusters show new and interesting properties different from bulk materials due to their extremely small size (diameter) and large specific surface area. It is thus critical to understand the variables that control its formation leading to a desired property. Control of nanoparticle size, size distribution and particle-cluster formation is the first step in all these applications. To achieve this, we will build on our existing mathematical models and computer simulation programmes, involving complex nanostructures, like core-shell nanoparticles, nanorods etc. There would be scope to use the model and simulation predictions with our own existing experimental data for improving sensing, water treatment and such important applications of nanotechnology.