Using novel methodology, parallel algorithms and computer simulation to probe biophysical, materials and chemical systems

Author: Glenn Martyna (IBM T. J. Watson Research Center)

Abstract

The goal of simulation studies is to provide insight into important systems of scientific and technical interest. Today, these systems involve treating accurately complex heterogeneous interfaces. The modeling of these nanostructures is reviewed, briefly, followed by application to problems in engineering, physics, and biochemistry. In particular, studies of perpendicular magnetic recording, doping of single wall carbon nanotube field effect transistors, organic semiconductors and the properties of biometic systems are discussed. Emphasis is placed on multicomponent nature of the systems and how complex heterogeneity leads to exciting physics.