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Deakin Research

Institute for Frontier Materials


Modelling gives insights for better molecule design

Researchers are using a combination of molecular simulation and experimental techniques as a way towards rational design of metallic nanoparticles.

Computer modelling to help households save energy

National Computational Infrastructure features the work of Professor Tiffany Walsh and her team.

Bio-nano research proves a winner

Two researchers in IFM's Bio/Nanomaterials group have been recognised by their peers for their research and communication skills.

Deakin showcases 3D sheet metal forming at Numisheet 2014

Deakin's Professor Jeong Whan Yoon chaired the organising committee for Numisheet 2014.

Molecular modelling and simulation

Our research is all about prediction - we develop and apply advanced computer modelling at the molecular level, based on fundamental principles of chemistry, physics and mathematics, to predict properties and behaviours of anything that is composed of atoms and molecules.

Together with experimental findings, our predictions can help frame hypotheses to account for observed experimental behaviours and indicate clear pathways for testing these hypotheses.

Our predictions can also provide strong guidance for industrially focused projects where questions of formulation and types/numbers of additives need to be addressed quickly and economically.

If there is a way to describe the system/material at an atomic or molecular level, there is no bar in principle to the type of material or system we can model.

Our research can form a platform resource for a wide range of other research activities.

  • We are adaptive and flexible - can meet the needs of the deadline-driven, results focused environment of industrial research.
  • We have a strong research focus - can provide strong scientific leadership and close oversight of research progress.
  • We have substantive global linkages - large network of international contacts in the molecular simulation field.

We have a strong track record in securing substantial super-computing resources for projects based on competitive merit-based allocation.

Deakin University acknowledges the traditional land owners of present campus sites.

27th February 2015