ARC Nanotechnology Network
Professor Irene Yarovsky

Professor Irene Yarovsky

Swanston Street, Melbourne
Victoria 3001
mailing address
School of Applied Sciences
RMIT University
GPO Box 2476V
Victoria 3001
Research Group: RMIT University, Materials Modelling and Simulation Group
Email: link
Phone: +613 99252571
Fax: +613 99255290

Current Research Activities

Computational and Theoretical Nanoscience
Atomistic modelling of materials structure and properties

Industrial applications

New nanomaterials for hydrogen storage
Design of organic and metallic coatings for steel
Nanoscale surface modification of polymers and metals for enhanced performance
Adhesion phenomena (promotion and prevention)
Physisorption and chemisorption on surfaces and nanostructures
Design of organic/inorganic materials
Structure and properties of iron surfaces and interfaces
Design of reagents for improved minerals extraction
Structure and properties of carbonaceous solids
Nanomaterials: metallic clusters, polymer nanocomposites, nanoporous solids

Biological applications

Protein structure and dynamics
Protein aggregation
Protein response to applied external stress
Protein-surface interactions

Computational Methods

Classical and first principles Molecular Dynamics
Density Functional Theory methods
Metropolis Monte Carlo method
Reverse Monte Carlo and Hybrid Reverse Monte Carlo methods

Existing Linkages

Imperial College London
Kyoto University
Melbourne University

Industry: BHP Billiton; Bluescope Steel