86 citations · 86 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026
A wrong ground-state structure of HfO predicted by machine-learning interatomic potentials based on the PBE functional
Shuqi Tang, Jinchen Wei, Kang Wang +4
Machine-learning interatomic potentials (MLIPs) have become powerful tools for material simulations. Many MLIPs are trained based on density functional theory (DFT) datasets genera…
cond-mat.mtrl-sci2022★ 86 cited
DASP: Defect and Dopant ab-initio Simulation Package
Menglin Huang, Zhengneng Zheng, Zhenxing Dai +5
In order to perform automated calculations of defect and dopant properties in semiconductors and insulators, we developed a software package, Defect and Dopant ab-initio Simulation…