Jie Yao

Jie Yao

School of Chemical Engineering

Faculty of Sciences, Engineering and Technology

Working on ab initio calculation and thermodynamic modelling of minerals (crystal/melts) to understand the structure, element partitioning, phase relations and solubility properties. Research has implications for critical metals storage, extraction, theory of mineralogy and early Earth evolution.

1. Employing the DFT method for crystal structure determination.

2. Computing thermodynamic properties of melts for mineral processing and early Earth evolution.

3. Using the ab initio based machine learning methods for simulating large atomic system or long time runs, with application to mineralogy and early Earth. 


  • Event Participation

    Date Event Name Event Type Institution Country
    2023 - 2023 27th Australian Conference on Microscopy and Microanalysis Conference University of Western Australia Australia
    2020 - 2020 Matter under Extreme Conditions, WE-Heraeus-Seminar Conference Online Germany
    2018 - 2018 SPP 1833 Building a Habitable Earth Conference University of Göttingen Germany
    2017 - 2017 DFG International Research Training Group & JSPS Japanese-German Graduate Externship Doctoral Seminar on Earth and planetary volatiles Conference University of Bayreuth Germany

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