62 citations · 121 across the 6 of their papers we have counts for
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physics.geo-ph2023★ 1 cited
Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics
Tianqi Wan, Chenxing Luo, Yang Sun +1
MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the…
physics.geo-ph2021★ 9 cited
Thermodynamics of spin crossover in ferropericlase: an improved LDA+ calculation
Yang Sun, Jingyi Zhuang, Renata M. Wentzcovitch
We present LDA+ calculations of high-spin (HS) and low-spin (LS) states in ferropericlase (fp) with an iron concentration of 18.75. The Hubbard parameter is determi…
physics.geo-ph2021★ 8 cited
Intermediate spin state and the B1-B2 transition in ferropericlase at tera-Pascal pressures
Tianqi Wan, Yang Sun, Renata M. Wentzcovitch
Ferropericlase (fp), (MgFe)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we p…