Computer Aided Nanomaterials Design – Self-assembly, Nanooptics, Molecular Electronics/Spintronics, and Fast DNA Sequencing

Abstract

Using diverse computer-aided molecular/material/device design approaches, we have successfully designed, synthesized, and characterized diverse new functional molecular systems, and measured their device characteristics. Here, we discuss why and how such self-assembled nanostructures are designed, and elucidate their unusual electronic and optical properties and device performance. In particular, nanorecognition phenomena of ionophores/receptors and nano-optical phenomena of self-assembled organic nanolenses are discussed. Given that dynamic and transport properties beyond the common static properties are very important for dynamic control of molecular systems toward the mechanical and electrical devices, we have investigated functionalized graphene which shows intriguing transport properties. We discuss the super-magnetoresitance and ultrafast DNA sequencing utilizing the unusual transport properties of graphene.