6 citations · 6 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024
Smooth Overlap of Spin Orientations: Machine Learning Exchange Fields for Ab-initio Spin Dynamics
Yuqiang Gao, Menno Bokdam, Paul J. Kelly
We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface…
cond-mat.mtrl-sci2024★ 6 cited
A DFT study of the structural and electronic properties of single and double acceptor dopants in MX2 monolayers
Yuqiang Gao, Paul J. Kelly
Density functional theory calculations are used to systematically investigate the structural and electronic properties of MX transition metal dichalcogenide monolayers with M =…