Computational Materials Lab

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Group News

Dec 2021: We are successful in securing Discovery Project funding from the Australian Research Council for the investigations into the novel electronic and spin properties of inorganic perovskites, in collaboration with Jasieniak and Karel groups at Monash. [Link]

Nov 2021: Chutian Wang and Vallabh Vasudevan both successfully defend their PhD thesis. Congratulations Dr Chutian and Dr Vallabh!

July 2021: Great news – Our group is awarded funding as a part of large consortium in Australian Research Council funded research hub in Advanced Manufacturing of 2D Materials (AM2D). [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