Lab News

March 2013: Postgraduate student Runhong Huang wins Institute of Materials Engineering’s prestigious  Australasia Award for his outstanding undergraduate research. Congratulations, Runhong! Pic

Nov 2012: Our lab receives funding from the Australian Research Council via its Discovery Project Funding scheme. [Link]

Oct 2012: Our recent work on next-generation battery materials has been accepted for publication in the Journal of Power Sources. [Link]

See more on lab news here.

Welcome to the webpage of Computational Materials Lab at Monash University!

We investigate the physics and mechanics of nanoscale materials for optoelectronic, energy and structural applications. We employ a broad range of computational tools, including:

1. •   First principles quantum mechanical simulations
   

2. •   Large-scale molecular dynamics simulations
   

3. •   Continuum phase-field simulations, and
   

4. •   Continuum mechanics simulations.
   

Please visit publications page for more details.

Open Positions

Magnetism in ZnO nanoparticles

     

with Prof. K. Suzuki (Monash University)

Edge elastic properties of 2D compound monolayers

with Prof. A. Ramasubramaniam (University of Massachusetts, Amherst, USA)

Electronic and transport properties of layered 2D materials

     

with Prof. K. Kalantar-Zadeh and Dr. M. Bhaskaran (Royal Melbourne Institute of Technology)

Structural and electronic properties of next generation battery materials

with Prof. V. Shenoy (Brown University, USA)

Charge transfer and transport in conducting polymers

with Dr. Chris McNeill (Monash University)

Electronic origins of defects and voids in metals

with Dr. Laure Bourgeois and Dr. Phil Nakashima (Monash University)

Current Projects

Past Projects

1. •    Structural and electronic properties of graphene and related materials
   

      with Prof. V. Shenoy (Brown University, USA)

1. •    Compositional patterns in alloy quantum dots
   

      with Prof. V. Shenoy (Brown University, USA)

1. •    Morphological patterning on semiconductor surfaces
   

      with Prof. V. Shenoy (Brown University, USA), Dr. Jim Hannon (IBM

       Research, New York, USA)