Computational Materials Lab

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Group News

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!

Congratulations Zezhong for publishing his work on the bilayered phase in Al-Ag alloy system in Acta Materialia. [Link]

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.