Computational Materials Lab


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Group News


Nov 2017: Jodie’s latest work on the electrochemistry of Mg surfaces with group 14 and 15 alloying elements is accepted for publication in the Journal of the Electrochemical Society. [Link]


Aug 2017: Well done Aayush Kant for his recent accepted paper on calcium kinetics in Biomechanics and Modeling in Mechanobiology. [Link]


June 2017: Congratulations to Yuefeng whose work on DNA/RNA nucleobases has been accepted for publication in the Journal of Physical Chemistry Letters. [Link]


April 2017: Big congratulations to Yong Zhang for winning a Student Scholar Award at 2017 Conference of Microscopy and Microanalysis. We are very proud!


Sep 2016: EXCITING NEWS -- Our lab will play a key role in the new ARC Centre of Excellence on Future Low Energy Electronics Technologies (FLEET), which has been awarded a $34 million research funding from the Australian Research Council. [Link, Link]


See more on lab 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.