1 citations · 1 across the 1 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2020
LDA+Usc calculations of phase relations in FeO
Yang Sun, Matteo Cococcioni, Renata M. Wentzcovitch
Using the LDA+ method, we present calculations phase relations of iron monoxides involving five polytypes in multiple spin-state configurations. The Hubbard p…