27 citations · 47 across the 4 of their papers we have counts for
5 papers
Influence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes
Ming Geng, Chris E. Mohn
The Z method is a popular atomistic simulation method for determining the melting temperature where a sequence of molecular dynamics runs are carried out to target the lowest syste…
Ab initio constraints on silica melting to 500 GPa
Ming Geng, Chris E. Mohn
The melting curve of pure silica (SiO) was determined using {\it ab initio} density functional theory together with the solid-liquid coexisting approach, thermodynamic integrat…
Surface sites drive Fe enrichment at reactive olivine interfaces
Ming Geng, Kunfeng Qiu, Jun Deng +1
Calculations based on density functional theory and statistical mechanics reveal how Fe site preference in olivine is altered at interfaces. Although the M1 site is favoured in bul…
Density functional theory calculation and thermodynamic analysis of the bridgmanite surface structure
Ming Geng, Hannes Jónsson
Bridgmanite, a high temperature and pressure form of , is believed to be Earth's most abundant mineral and responsible for the observed seismic anisotropy in the mantle. L…
Density functional theory calculations and thermodynamic analysis of the forsterite (010) surface
Ming Geng, Hannes Jónsson
The stability of possible termination structures for the (010) surface of forsterite, , is studied using a density functional theory (DFT) based thermodynamic approach…