Professor Irene Yarovsky

 

Professor Swanston Street, Melbourne Victoria 3001 mailing address School of Applied Sciences RMIT University GPO Box 2476V Melbourne Victoria 3001 Australia Research Group: RMIT University, Materials Modelling and Simulation Group   Webpage: http://www.rmit.edu.au/staff/irene-yarovsky 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