21 citations · 22 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2026
Masgent: An AI-assisted Materials Simulation Agent
Guanghen Liu, Songge Yang, Yu Zhong
Density functional theory (DFT) and machine learning potentials (MLPs) are essential for predicting and understanding materials properties, yet preparing, executing, and analyzing…
cond-mat.mtrl-sci2023★ 1 cited
Ab initio Investigations on the Electronic Properties and Stability of Cu-Substituted Lead Apatite (LK-99) family with different doping concentrations (x=0, 1, 2)
Songge Yang, Guangchen Liu, Yu Zhong
The pursuit of room-temperature ambient-pressure superconductivity in novel materials has sparked interest, with recent reports suggesting such properties in Cu-substituted lead ap…
cond-mat.mtrl-sci2021★ 21 cited
Ab initio simulations on the pure Cr lattice stability at 0K: Verification with the Fe-Cr and Ni-Cr binary systems
Songge Yang, Yi Wang, Zi-Kui Liu +1
Significant discrepancies have been observed and discussed on the lattice stability of Cr between the predictions from the ab initio calculations and the CALPHAD approach. In the c…