COMPUTATIONAL METHODS IN NANO CHEMISTRY

Sajid Jahangir,^1,2

Nano-science looks at nano-interfaces and nano-junctions, atomic and molecular manipulation of adsorbates, properties of self assembled films and quantum transport in nano-structures. Understanding of these phenomena at the nano-scale is of great importance for both science and technology. The belief that nano-science, the science of the nanometer scale, have an important impact on computational physics and chemistry was the motivation for this poster. Important computational methods used in the computation of nano materials will be presented.