Abstract:Inorganic-Organic Hybrid Nanoparticles combine a metal inorganic core with an organic exterior that can range in size and composition.  These nanoparticles represent an interesting state of matter with unique properties.  Though the properties can change with composition and size, a fundamental understanding must be ascertained to employ them in materials.  In this talk, I will discuss our work investigating the fundamental chemistry and physics of a series of inorganic-organic hybrid nanoparticles.  Using a combination of computational methods including DFT, TD-DFT, and ReaxFF-MD has provided insight into how the properties change due to size and composition of aluminum, copper and gold nanoparticles. ReaxFF-MD has provided insight into the ligand interaction of gold nanoparticles in aqueous environments and molecular interactions. These studies not only lay a foundation for incorporation of hybrid nanoparticles in sensing devices, but also provide insight for their use as stand-alone materials.