Computational Materials Lab


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Group News


Jan 2016: Our recent work on the crystal structure of Al-Au precipitate phases will appear in the next issue of Acta Materialia. [Link]


Oct 2015: Our group is awarded Discovery Project funding from the Australian Research Council for investigating electrochemistry of magnesium batteries.


Oct 2015: We are delighted that Majid, our newly minted PhD, will be joining Prof. Alexandre Tkatchenko’s group at the Fritz Haber Institute of the Max Planck Society, Berlin, as a postdoctoral researcher. [Pics]


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.