ECGL Workshop: Introducing the Experimental and Computational Geochemistry Laboratory

Agenda

9:00 – 9:10

Welcome & Introduction (Yuan Mei)
  • Registration, housekeeping and acknowledgement
  • Opening remarks and overview of workshop objectives

9:10 – 9:50

Experimental Geochemistry (Yanlu Xing)
  • Overview of laboratory-based geochemistry capabilities
  • Synchrotron-enabled analytical workflows
  • Showcase examples through real project stories
  • Recorded laboratory tour video (10 minutes) followed by Q&A

9:50 – 10:30

Geochemistry Molecular Simulation (Yuan Mei, Jess White & Qiushi Guan)
  • General introduction to molecular modelling approaches:
    ○ Density Functional Theory (DFT) and spectral workflow
    ○ Ab initio Molecular Dynamics (AIMD)
    ○ Machine-Learning Molecular Dynamics (MLMD)
  • Two application examples:
    ○ Mineral carbonation
    ○ REE geochemistry

10:30 – 11:00

Morning Tea & Poster Session
  • Light refreshments served

11:00 – 11:30

Geochemical Modelling & Applications (Yanlu Xing)
  • Overview of major frameworks: GWB, HCh, GEM-Selektor
  • Fluid–rock interaction simulations
  • Application case studies in Au, base metals and critical minerals

11:30 – 12:00

Q&A + Networking + Closing Survey
  • Open discussion and networking
  • Feedback survey