Abstract: Theoretical and computational science can be used to investigate many aspects of nanoscale systems. These include interactions between molecules and between molecules and surfaces, flow in nanopores and thermal fluctuations that all become particularly important in small systems. We will present some of the studies and approaches that have been used in our group to consider these systems. Use of nanomaterials for gas separation, nanosheets for lithium atom transport the effect of pore diameter on transport properties and fluctuations in nanoscale systems will be considered.

About the Speaker: Professor Debra Bernhardt is internationally recognized for her contributions to the development of nonequilibrium statistical mechanics and thermodynamics including far-from-equilibrium fluids and confined fluids. She is a Fellow of the Royal Australian Chemical Institute and Director of the AIBN Centre for Theoretical and Computational Molecular Science. Professor Bernhardt’s 30 years of research experience includes appointments at the University of Basel, Switzerland; the Australian National University; and Griffith University, where she was founding Director of the Queensland Micro- and Nanotechnology Centre. Professor Bernhardt's research interests focus on the use of a range of theoretical and computational approaches to develop a fundamental understanding of the behavior of matter, and application of these approaches to a wide range of problems including transport in nanopores, fluctuation phenomena, and design of materials, gas separation, energy storage and conversion.

 

Date&Time: September 6, 2013 (Friday), 14:00 - 15:00
Location: 606 Conference Room