In this study we investigated the adsorption behaviour of key species—H₂O, CO₂, H₂CO₃, HCO₃⁻, and CO₃²⁻—on four minerals relevant to […]
This study focuses on developing machine learning force fields (MLFFs) for diopside–water interfaces using VASP’s on‑the‑fly machine learning approach. The […]
Copper mobility in hydrothermal systems depends on how Cu(I) complexes form, hydrate, and interact with other ions as fluids transition […]
We combined hydrothermal experiments, synchrotron microanalysis, and quantum chemical simulations to reveal how germanium (Ge) is incorporated into sphalerite in […]
We combined AIMD simulation and geochemical modelling to uncover how potassium interacts with gold in lode gold systems. The result […]
We combined atomistic simulation, in‑situ spectroscopy, and thermodynamic modelling to reveal how tungsten (W) actually moves in geological systems. The […]
