Understanding nanomaterials through atomistic simulation and modeling at IBM: From biophysical to high-tech applications

by Glenn J. Martyna

Tuesday 13 Nov 2012, 16:00 → 18:00 Europe/Rome

Aula Conversi (Dip. di Fisica - Edificio G. Marconi)

The goal of simulation and modeling studies is to provide insight into important systems of scientific and technological interest. Today, approaching such problems involves treating accurately complex heterogeneous interfaces at the nanoscale. The novel mathematical physics methods underlying the study of nanostructures are briefly given followed by applications to challenges across engineering, physics, and biophysics. In particular, models of carbon-based transparent electrodes for use in thin film solar cells are described showing how oxide materials may be replaced by using highly correlated electron physics to achieve high performance. A novel understanding of how the structural properties of peptides act to achieve antimicrobrial activity is communicated. Through-out the lecture, the importance of the interactions between theory, simulation and experiment to generate new scientific insights and technological innovation is stressed.