Welcome to the
Integrated Materials Design Lab

The Australian National University

Prof. Sean Smith

In order to make significant advances towards new electronics, sustainable-energy and biomolecular / biomedical technologies, the focus on achieving a molecular-level understanding of crucial phenomena has intensified over the past two decades. So much so, that chemistry, biology, physics, medicine and engineering now collectively interface with each other at the molecular level in the search for new technologies.

In the coming decade, theory and modelling will harness massive advances in high performance computing to enable an unprecedented acceleration in discovery and development of new materials for the energy, environment, health and IT sectors… Read the full message

Journal covers

Catalytic Materials

Catalysts are key to almost every chemical product. We study materials with the aim of improving their catalytic activities and finding more stable, efficient and abundant catalysts.

Materials Epigenetics

The synergy between computation, synthesis and fabrication lies at the heart of the materials genome project. With the 98 naturally occurring elements, the combinations are limitless for the next game changing compounds.

Energy Storage

The full potential of clean and renewable energy sources will only be realised with efficient and high capacity storage devices that rely on cheap, non-toxic elements.

Electronic Materials

While silicon has dominated the electronics arena for decades, new devices at the nanoscale will require breakthrough materials that can operate at true quantum mechanical length scales.

Soft Matter

Drugs delivery, proteins bioengineering, pharmaceuticals, etc, require the simulation of thousands and millions of atoms under realistic conditions. Our work guides experiments and leads to new products.

Upcoming events

NCI’s newest supercomputer is Gadi, a 3,200-node supercomputer supplied by Fujitsu Australia. Named Gadi (pronounced ‘gar dee’) after the words “to search for” in the language of the Ngunnawal people. More photos can be viewed here.