Computational Materials Lab


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Group News


Nov 2020: Looks like we have survived Covid-19 pandemic and the following strict lockdown in Melbourne!


Great news – Our group is awarded Discovery Project funding from the Australian Research Council for i solid-state precipitates in Aluminium alloys, in collaboration with Bourgeois group at Monash.


Aug 2020: Recent comprehensive work led by Dr. Mingchao Wang on thermal instability in hybrid perovskite crystals is accepted for publication in J Materials Chemistry A. [Link]


Feb 2020: Excited to see this research on solid-state precipitates in Aluminium alloys, in collaboration with Bourgeois group at Monash published in Nature Communications. [Link]


See more on group news here.

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


We are interested in investigating 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.


Funding and Research Support


We gratefully acknowledge the following sources for providing us funding and support that makes our research possible.








ARC Discovery Projects          ARC Centre of Excellence FLEET             PhD Research Support










PhD Research Support         NCI, Pawsey and Monash High Performance Computing Facilities