Computational Materials Lab


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Group News


July 2016: PhD student Runhong Huang’s recent work on stimuli responsive metal–organic frameworks has been accepted for publication in the Journal of Physical Chemistry C. [Link]


June 2016: Congratulations Zezhong for his Young Scientist Award as well as a Best Poster Award at the recent 2016 International Conference on Aluminium Alloys. Very well done! [Pics]


April 2016: Congratulations Yuefeng for successfully completing his PhD. Well done—celebrations are in order!


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