First listed on: 19 May 2020

Experimental Scientist - Modelling and Simulations 

The Opportunity
  • Do you have a PhD in Computational chemistry/physics or similar?
  • Work with world-leading scientists and simulate the properties of a range of perovskite materials
  • Join CSIRO’s Data61, the largest data innovation group in Australia

CSIRO’s Data61 is seeking to appoint an Experimental Scientist to work within their Modelling and Simulations group.

As the successful candidate, you will work with world-leading scientists on the development of a new industry-specific materials informatics platform for screening and designing metal oxide materials for a next generation solar redox reactor.  You will draw on large data bases of computational results and undertake large numbers of simulations using density functional theory, to create a comprehensive resource for multivariate analytics and machine learning.

Your duties will include:
  • Engage with experimental partners and international collaborators to create a database of existing results suitable for screening and processing using established thermochemical methods.
  • Simulate the properties of a range of perovskite materials using density functional theory.
  • Predict the structure/property relationships of perovskite materials using the most appropriate and reliable suite of machine learning methods.
  • Contribute to the development of a bespoke materials informatics platform that can be repurposed in the future as other opportunities arise.
  • Undertake regular reviews of relevant literature and patents.

Location:  Docklands VIC
Salary:  AU$83k – AU$94k plus up to 15.4% superannuation
Tenure:  Specified term of 18 months 
Reference:  67331

To be considered you will need:
  • A doctorate in a relevant discipline area, such as computational chemistry, computational physics or materials data science.
  • A detailed knowledge and extensive experience in the simulation of materials using density funtional theory (DFT)
  • Demonstrated proficiency using high performance computing environments.
  • Proven experience, as evidenced by examples, in machine learning and data science methods and their application to large data sets.

For full details about this role please view the Position Description


The successful applicant will be required to obtain and provide a National Police Check or equivalent.

Flexible Working Arrangements

We work flexibly at CSIRO, offering a range of options for how, when and where you work. Talk to us about how this role could be flexible for you. Balance

Diversity and Inclusion

We are working hard to recruit diverse people and ensure that all our people feel supported to do their best work and feel empowered to let their ideas flourish. Diversity and Inclusion Strategy

We are committed to the safety and wellbeing of all children and young people.


At CSIRO, Australia's national science agency, we solve the greatest challenges through innovative science and technology.

CSIRO's Data61 is the data and digital specialist arm of CSIRO. We are creating Australia's data-driven future.

Join us and start creating tomorrow today!

How to Apply

Please apply on-line and provide a cover letter and CV that best demonstrate your motivation and ability to meet the requirements of this role.

Applications Close

Monday 01 June 2020, 11:00 pm AEST

For selection documentation
and details on how to apply visit or call 1300 984 220

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