27 citations · 47 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 7 cited
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…
cond-mat.mtrl-sci2023★ 9 cited
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…
cond-mat.mtrl-sci2020
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…