Jie Yao

Research Interests

Earth Sciences Mineralogy and Crystallography Modelling and simulation Mining & Metallurgy

Dr Jie Yao

ARC Grant-Funded Postdoctoral Research Fellow

School of Chemical Engineering

College of Engineering and Information 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. 

 

Date Position Institution name
2022 - ongoing ARC Grant-Funded Researcher (A) University of Adelaide

Language Competency
Chinese (Mandarin) -
English -

Date Institution name Country Title
2016 - 2021 University of Bayreuth Germany PhD
2014 - 2015 University of Western Australia Australia Master
2009 - 2013 China University of Geoscience (Wuhan) China Bachelor

Year Citation
2025 King, S. A., Ciobanu, C. L., Cook, N. J., Slattery, A. D., Ehrig, K., Yao, J., & Campo Rodriguez, Y. T. (2025). 'Basket-weave' textures formed during cooling of natural bornite: A HAADF STEM study. Mineralogical Magazine, 1-54.
DOI Scopus1
2025 King, S. A., Ciobanu, C. L., Cook, N. J., Slattery, A. D., Gilbert, S. E., Kyle, J. R., . . . Yao, J. (2025). The state and fate of noble metals in bornite and digenite. Lithos, 514-515, 108198-1-108198-22.
DOI
2025 Yao, J., Ciobanu, C., Cook, N., Ehrig, K., Slattery, A., Ilton, E., . . . Steinle-Neumann, G. (2025). Long-range modulation in uranium-bearing hematite superstructure constrained from STEM analysis and ab initio calculations. American Mineralogist.
DOI
2024 Yao, J., Ciobanu, C., Cook, N., Ehrig, K., Dima, G., & Steinle-Neumann, G. (2024). Ab initio calculations and crystal structure simulations for mixed layer compounds from the tetradymite series. American Mineralogist, 109(8), 1375-1386.
DOI Scopus4 WoS3
2024 Cook, N. J., Ciobanu, C. L., Yao, J., Stanley, C. J., Liu, W., Slattery, A., & Wade, B. (2024). Clogauite, PbBi₄Te₄S₃, a new member of the aleksite series. Mineralogical Magazine, 88(4), 461-472.
DOI Scopus1 WoS1
2024 Ciobanu, C. L., Cook, N. J., Yao, J., Slattery, A., Wade, B., & Dima, G. I. (2024). Ehrigite, Bi8Te3, a New Member of the Tetradymite Group. The Canadian Journal of Mineralogy and Petrology, 62(6), 847-861.
DOI Scopus2 WoS2
2023 Gezzaz, H., Ciobanu, C. L., Cook, N. J., Ehrig, K., Slattery, A., Wade, B., & Yao, J. (2023). Copper-Bearing Magnetite and Delafossite in Copper Smelter Slags. Minerals, 13(11), 1374-1-1374-28.
DOI Scopus2 WoS2
2023 Yao, J., Ciobanu, C. L., Cook, N. J., & Ehrig, K. (2023). Ab initio crystal structures and relative phase stabilities for the aleksite series, PbnBi₄Te₄Sn₊₂. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 79(6), 482-494.
DOI Scopus4 WoS3
2021 Yao, J., Frost, D. J., & Steinle‐Neumann, G. (2021). Lower Mantle Melting: Experiments and Thermodynamic Modeling in the System MgO‐SiO
<sub>2</sub>. Journal of Geophysical Research: Solid Earth, 126(12), 11 pages.
DOI

Year Citation
2021 Yao, J. (2021). Constraints on Magma Ocean Crystallization in the Early Earth: Experiments, Thermodynamics and Ab initio simulations.

Date Event Name Event Type Institution Country
2024 - 2024 30th International Applied Geochemistry Conference Conference Association of Applied Geochemists Australia
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
2017 - 2017 SPP 1833 Building a Habitable Earth Conference University of Jena Germany

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