Yuan Mei

Research Scientist in Computational Geochemistry

I am a geochemist focusing on understanding the geochemical processes that govern the fate of metals and metalloids from the mantle to the Earth’s crust at the molecular level. My research takes advantage of recent advances in high performance computers and state-of-the-art in-situ synchrotron techniques to study the speciation and thermodynamic properties of metal in minerals and fluids, to provide better understanding of the dissolution, transportation and precipitation of metals in ore-forming systems.

My research demonstrates that molecular simulations are coming of age in exploring the molecular structures and thermodynamic properties of minerals and fluids under extreme conditions. The major achievement in my academic career is the quantitative calculation of the thermodynamic properties of the ion pairing reactions that control metal mobility in hydrothermal systems. The thermodynamic properties of metal-ligand exchange and ion pairing reactions calculated in my research have been incorporated into popular thermodynamic databases (i.e., HCh, GWB) and are able to be applied to geochemical modelling by hundreds of users.

In Deep Earth Imaging Future Science Platform, I use my knowledge and skills of molecular simulation and thermodynamics to study: 1) ab initio calculations of rock properties and interpretation of geophysical data; 2) geochemical modelling and reactive transport modelling of ore-forming processes; and 3) molecular simulation and thermodynamic properties of metal behaviour in ore-forming fluids.

 

Technical skills

  • Molecular dynamics simulations and quantum mechanics (density functional theory) calculation
  • High performance computing (Intensive user of Pawsey and NCI HPC facilities)
  • Scientific programming using Matlab, Fortran, TCL/TK
  • Exceptional knowledge in thermodynamics and the application to geochemical modelling and reactive transport modelling
  • Synchrotron-based high T-P XAS experiment (Australian Synchrotron and ESRF) and lab-based hydrothermal geochemistry experiments

 

Professional experience

Employments

Nov 2018 – present
Research Scientist: CSIRO Deep Earth Imaging Future Science Platform

Apr 2015-Nov 2018
Postdoctoral Research Fellow: CSIRO Mineral Resources

Apr 2014-Mar 2015
Postdoctoral Research Fellow: School of Earth, Atmosphere and Environment, Monash University

Sep 2013-Mar 2014
Postdoctoral Research Fellow: School of Earth and Environmental Sciences, The University of Adelaide

 

Education

PhD in Geochemistry, School of Earth and Environmental Sciences, The University of Adelaide, Australia (2013)

Bachelor in Applied Chemistry, East China University of Science and Technology, Shanghai, China (2007)

 

 

Selected publications

  • Mei Y*, Wang R, Moncada D, Williams-Jones AE, (2020). Preface to Metals, minerals, melts and fluids associated with giant mineral deposits: insights from natural observations, experiments and theoretical models. Ore Geology Reviews, 127, doi: https://doi.org/10.1016/j.oregeorev.2020.103842
  • Liu, W., Etschmann, B., Mei, Y., Guan, Q., Testemale, D., Brugger, J. (2020). The role of sulfur in molybdenum transport in hydrothermal fluids: insight from in situ synchrotron XAS experiments and molecular dynamics simulations, Geochimica et Cosmochimica Acta. 290, 162-179. doi: https://doi.org/10.1016/j.gca.2020.08.003
  • Guan, Q., Mei, Y.*, Etschmann, B., Testemale, D., Louvel, M., & Brugger, J. (2020). Yttrium complexation and hydration in chloride-rich hydrothermal fluids: a combined ab initio molecular dynamics and in situ X-ray absorption spectroscopy study. Geochimica et Cosmochimica Acta. 281, 168-189. doi: https://doi.org/10.1016/j.gca.2020.04.015
  • Gysi, A., Mei, Y., & Driesner, T. (2020). Advances in Numerical Simulations of Hydrothermal Ore Forming Processes. Geofluids, 2020, 1-4. doi: https://doi.org/10.1155/2020/7649713
  • Mei, Y.*, Liu, W., Brugger, J., & Guan, Q. (2020). Gold solubility in alkaline and ammonia-rich hydrothermal fluids: insights from ab initio molecular dynamics simulations. Geochimica et Cosmochimica Acta. doi: https://doi.org/10.1016/j.gca.2019.12.031
  • Liu, W., Chen, M., Yang, Y., Mei, Y., Etschmann, B., Brugger, J., & Johannessen, B. (2019). Colloidal gold in sulphur and citrate-bearing hydrothermal fluids: An experimental study. Ore Geology Reviews, 114, 103142. doi: https://doi.org/10.1016/j.oregeorev.2019.103142
  • Syverson, D. D., Etschmann, B., Liu, W., Ram, R., Mei, Y., Lanzirotti, T., . . . Brugger, J. (2019). Oxidation state and coordination environment of Pb in U-bearing minerals. Geochimica et Cosmochimica Acta, 265, 109-131. doi:https://doi.org/10.1016/j.gca.2019.08.039
  • Bohu, T., Anand, R., Noble, R., Lintern, M., Kaksonen, A. H., Mei, Y., . . . Verrall, M. (2019). Evidence for fungi and gold redox interaction under Earth surface conditions. Nature Communications, 10(1), 2290. doi:https://doi.org/10.1038/s41467-019-10006-5
  • Etschmann, B., Liu, W., Mayanovic, R., Mei, Y., Heald, S., Gordon, R., & Brugger, J. (2019). Zinc transport in hydrothermal fluids: On the roles of pressure and sulfur vs. chlorine complexing. American Mineralogist, 104(1), 158-161. doi:http://dx.doi.org/10.2138/am-2019-6719
  • Xing, Y., Etschmann, B., Liu, W., Mei, Y., Shvarov, Y., Testemale, D., . . . Brugger, J. (2019). The role of fluorine in hydrothermal mobilization and transportation of Fe, U and REE and the formation of IOCG deposits. Chemical Geology, 504, 158-176. doi:https://doi.org/10.1016/j.chemgeo.2018.11.008
  • Xing, Y., Mei, Y., Etschmann, B., Liu, W., Brugger, J. (2018). Uranium Transport in F-Cl-Bearing Fluids and Hydrothermal Upgrading of U-Cu Ores in IOCG Deposits. Geofluids, 2018, 22. doi:https://doi.org/10.1155/2018/6835346
  • Mei, Y.*, Liu, W., Migdiov, A. A., Brugger, J. & Williams-Jones, A. E. (2018). CuCl Complexation in the Vapor Phase: Insights from Ab Initio Molecular Dynamics Simulations. Geofluids, 2018, 12. doi:http://doi.org/10.1155/2018/4279124
  • Mei, Y.*, Liu, W., Brugger, J., Sherman, D. M., & Gale, J. D. (2018). The dissociation mechanism and thermodynamic properties of HCl(aq) in hydrothermal fluids (to 700 °C, 60 kbar) by ab initio molecular dynamics simulations. Geochimica et Cosmochimica Acta, 226, 84-106. doi:https://doi.org/10.1016/j.gca.2018.01.017
  • Etschmann, B. E., Mei, Y., Liu, W., Sherman, D., Testemale, D., Müller, H., . . . Brugger, J. (2018). The role of Pb(II) complexes in hydrothermal mass transfer: An X-ray absorption spectroscopic study. Chemical Geology. doi:https://doi.org/10.1016/j.chemgeo.2018.10.022
  • Wang, R., Cudahy, T., Laukamp, C., Walshe, J. L., Bath, A., Mei, Y., . . . Laird, J. (2017). White Mica as a Hyperspectral Tool in Exploration for the Sunrise Dam and Kanowna Belle Gold Deposits, Western Australia. Economic Geology, 112(5), 1153. doi:https://doi.org/10.5382/econgeo.2017.4505
  • Mei, Y.*, Liu, W., Brugger, J., Migdisov, A. A., & Williams-Jones, A. E. (2017). Hydration Is the Key for Gold Transport in CO2–HCl–H2O Vapor. ACS Earth and Space Chemistry, 1(7), 368-375. doi:http://dx.doi.org/10.1021/acsearthspacechem.7b00020
  • Liu, W., Mei, Y., Etschmann, B., Brugger, J., Pearce, M., Ryan, C. G., . . . Falkenberg, G. (2017). Arsenic in hydrothermal apatite: Oxidation state, mechanism of uptake, and comparison between experiments and nature. Geochimica et Cosmochimica Acta, 196, 144-159. doi:http://dx.doi.org/10.1016/j.gca.2016.09.023
  • Mei, Y.*, Etschmann, B., Liu, W., Sherman, D. M., Testemale, D., & Brugger, J. (2016). Speciation and thermodynamic properties of zinc in sulfur-rich hydrothermal fluids: Insights from ab initio molecular dynamics simulations and X-ray absorption spectroscopy. Geochimica et Cosmochimica Acta, 179, 32-52. doi:http://dx.doi.org/10.1016/j.gca.2016.01.031
  • Fougerouse, D., Micklethwaite, S., Tomkins, A. G., Mei, Y., Kilburn, M., Guagliardo, P., . . . Howard, D. L. (2016). Gold remobilisation and formation of high grade ore shoots driven by dissolution-reprecipitation replacement and Ni substitution into auriferous arsenopyrite. Geochimica et Cosmochimica Acta, 178, 143-159. doi:http://dx.doi.org/10.1016/j.gca.2016.01.040
  • Brugger, J., Liu, W., Etschmann, B., Mei, Y., Sherman, D. M., & Testemale, D. (2016). A review of the coordination chemistry of hydrothermal systems, or do coordination changes make ore deposits? Chemical Geology, 447, 219-253. doi:http://dx.doi.org/10.1016/j.chemgeo.2016.10.021
  • Mei, Y.*, Sherman, D. M., Liu, W., Etschmann, B., Testemale, D., & Brugger, J. (2015). Zinc complexation in chloride-rich hydrothermal fluids (25–600°C): A thermodynamic model derived from ab initio molecular dynamics. Geochimica et Cosmochimica Acta, 150(0), 265-284. doi:http://dx.doi.org/10.1016/j.gca.2014.09.023
  • Mei, Y.*, Etschmann, B., Liu, W., Sherman, D. M., Barnes, S. J., Fiorentini, M. L., . . . Brugger, J. (2015). Palladium complexation in chloride- and bisulfide-rich fluids: Insights from ab initio molecular dynamics simulations and X-ray absorption spectroscopy. Geochimica et Cosmochimica Acta, 161(0), 128-145. doi:http://dx.doi.org/10.1016/j.gca.2015.04.009
  • Tian, Y., Etschmann, B., Mei, Y., Grundler, P. V., Testemale, D., Hazemann, J.-L., . . . Brugger, J. (2014). Speciation and thermodynamic properties of manganese(II) chloride complexes in hydrothermal fluids: In situ XAS study. Geochimica et Cosmochimica Acta, 129(0), 77-95. doi:http://dx.doi.org/10.1016/j.gca.2013.12.003
  • Mei, Y., Liu, W., Sherman, D. M., & Brugger, J. (2014). Metal complexation and ion hydration in low density hydrothermal fluids: Ab initio molecular dynamics simulation of Cu(I) and Au(I) in chloride solutions (25–1000°C, 1–5000bar). Geochimica et Cosmochimica Acta, 131(0), 196-212. doi:http://dx.doi.org/10.1016/j.gca.2014.01.033
  • Mei, Y., Sherman, D. M., Liu, W., & Brugger, J. (2013). Ab initio molecular dynamics simulation and free energy exploration of copper(I) complexation by chloride and bisulfide in hydrothermal fluids. Geochimica et Cosmochimica Acta, 102(0), 45-64. doi:https://doi.org/10.1016/j.gca.2012.10.027
  • Mei, Y.*, Sherman, D. M., Liu, W., & Brugger, J. (2013). Complexation of gold in S3–rich hydrothermal fluids: Evidence from ab-initio molecular dynamics simulations. Chemical Geology, 347(0), 34-42. doi:http://dx.doi.org/10.1016/j.chemgeo.2013.03.019
  • Tian, Y., Etschmann, B., Liu, W., Borg, S., Mei, Y., Testemale, D., . . . Brugger, J. (2012). Speciation of nickel (II) chloride complexes in hydrothermal fluids: In situ XAS study. Chemical Geology, 334(0), 345-363. doi:https://doi.org/10.1016/j.chemgeo.2012.10.010
  • Liu, W., Borg, S., Etschmann, B., Mei, Y., & Brugger, J. (2012). An XAS study of speciation and thermodynamic properties of aqueous zinc bromide complexes at 25–150 °C. Chemical Geology, 298–299(0), 57-69. doi:http://dx.doi.org/10.1016/j.chemgeo.2011.12.018

 

Awards and grants

  • 2020: CSIRO Julius Career Award

  • 2019: CSIRO Mineral Resources Science Achievement Award

  • 2018: CSIRO Ruby Payne-Scott Career Development Award

  • 2013: The University of Adelaide Dean’s Commendation for Doctoral Thesis Excellence Award

  • 2019-2021:  ARC Discovery Project DP190100216 “Aqueous fluids in the deep earth

 

Professional activities

2020-2021
Lead guest editor of Geochimica et Cosmochimica Acta Special Issue on “Base, Precious and Critical Metals in Fluid-Mineral Interactions“

2020
Session Convenor of Goldschmidt 2020 (07a: Thermodynamics and Kinetics of Mineral-Fluid-Melt Interactions in the Global Element Cycling)

2018-2019
Lead guest editor of Ore Geology Review special issue on “Metals, minerals, melts and fluids associated with giant mineral deposits: insights from natural observations, experiments and theoretical models”

2018-present
Academic editor of Geofluids

2015-present
Committee Member of the Energy and Resources Merit Allocation Scheme of Pawsey Supercomputing Centre

2018
Session Convenor of Goldschmidt 2018 (session 05d: Metals, Minerals, Melts and Fluids Associated with Giant Mineral Deposits)

2018
External Assessor for Natural Sciences and Engineering Research Council of Canada (NSERC)

2016-2018
Guest Editor of Geofluids special issue “Advances in Numerical Simulations of Hydrothermal Ore Forming Processes”

2017
Science reviewer for Australian Synchrotron

2015
Session Convenor of Goldschmidt 2015 (session 12d: Metals, Volatiles and the Geochemical Evolution of Ore-Forming Magmas and Related Hydrothermal Systems)